标题分子[Fe2(C)5H(H)5)2(C)29H(H)26S公司2)],包含通过(Z)-CH=CH双键和(E类)-CH=CH双键。
支持信息
CCDC参考:615809
关键指标
- 单晶X射线研究
- T型=292千
- 平均值(C-C)=0.004º
- R(右)系数=0.045
- 水风险系数=0.112
- 数据与参数之比=18.0
检查CIF/PLATON结果
未发现语法错误
警报级别C
PLAT094_警报_2_C最大/最小残余密度比。。。。2.15平台220_警报2_C大型非溶剂C Ueq(最大)/Ueq。。。2.81比率板241_ALERT_2_C检查C20的高Ueq与相邻值的比较平台242_警报_2_C检查与相邻Fe1相比的低Ueq平台242_警报_2_C检查与相邻Fe2相比的低Ueq
0A级警报=一般情况:严重问题0B级警报=潜在的严重问题5C级警报=检查并解释0G级警报=一般警报;检查0警报类型1 CIF构造/语法错误,数据不一致或缺失5警报类型2结构模型可能错误或有缺陷的指示器0警报类型3结构质量可能较低的指示器0警报类型4改进、方法、查询或建议0警报类型5信息性消息,检查
数据收集:智能(布鲁克,2001);单元格细化:智能; 数据缩减:圣普卢斯(布鲁克,2001);用于求解结构的程序:架子97(谢尔德里克,1997);用于优化结构的程序:SHELXL97型(谢尔德里克,1997);分子图形:铂(斯佩克,2003);用于准备出版材料的软件:铂.
1-[(Z)-5-二茂铁乙烯基-2-甲基噻吩-3-基]-2-[(E类)-5-二茂铁乙烯基-2-甲基噻吩-3-基]环戊烯顶部
水晶数据 顶部
[铁2(C)5H(H)5)2(C)29H(H)26S公司2)] | F类(000) = 1416 |
M(M)第页= 680.50 | D类x个=1400毫克−三 |
单诊所,P(P)21/c(c) | 钼Kα辐射,λ= 0.71073 Å |
大厅符号:-P 2ybc | 9856次反射的细胞参数 |
一= 16.2228 (11) Å | θ= 2.3–24.8° |
b条= 20.1251 (14) Å | µ=1.06毫米−1 |
c(c)=10.2569(7)Å | T型=292千 |
β= 105.342 (1)° | 块,红色 |
五= 3229.4 (4) Å三 | 0.30×0.24×0.20毫米 |
Z= 4 | |
数据收集 顶部
Bruker SMART CCD区域探测器 衍射仪 | 5780次反射我> 2σ(我) |
辐射源:细焦点密封管 | R(右)整数= 0.031 |
石墨单色仪 | θ最大值= 27.0°,θ最小值= 1.7° |
φ和ω扫描 | 小时=−20→20 |
26882次测量反射 | k个=−25→25 |
7039独立反射 | 我=−13→13 |
精炼 顶部
优化于F类2 | 主原子位置定位:结构-变量直接方法 |
最小二乘矩阵:满 | 二次原子位置:差分傅里叶映射 |
R(右)[F类2> 2σ(F类2)] = 0.045 | 氢站点位置:从邻近站点推断 |
水风险(F类2) = 0.112 | 受约束的氢原子参数 |
S公司= 1.08 | w个= 1/[σ2(F类o个2) + (0.0552P(P))2+ 0.6965P(P)] 哪里P(P)= (F类o个2+ 2F类c(c)2)/3 |
7039次反射 | (Δ/σ)最大值= 0.002 |
390个参数 | Δρ最大值=0.51埃−三 |
0个约束 | Δρ最小值=−0.24埃−三 |
特殊细节 顶部
几何图形所有的e.s.d.(除了两个l.s.平面之间的二面角中的e.s.d.)使用全协方差矩阵进行估计在估计距离、角度的e.s.d.时单独考虑和扭转角;e.s.d.细胞内参数之间的相关性仅为当它们由晶体对称性定义时使用。近似(各向同性)细胞e.s.d.的处理用于估计涉及l.s.的e.s.d。飞机。 |
精炼.改进F类2对抗所有反射。加权R(右)-因子水风险和贴合度S公司基于F类2,常规R(右)-因素R(右)基于F类,使用F类设置为零消极的F类2。的阈值表达式F类2>σ(F类2)仅用于计算R(右)-因子(gt)等.并且与选择反射进行细化无关。R(右)-因素基于F类2从统计上看大约是两倍大作为那些基于F类、和R(右)-基于所有数据的系数将为甚至更大。 |
分数原子坐标和各向同性或等效各向同性位移参数2) 顶部 | x个 | 年 | z(z) | U型国际标准化组织*/U型等式 | |
铁1 | 1.18402 (2) | 0.663110 (16) | 0.75316 (3) | 0.04410 (11) | |
二氧化铁 | 0.85733 (3) | 0.538118 (16) | 0.75137 (3) | 0.04778 (12) | |
S1(第一阶段) | 0.85485 (4) | 0.64068 (4) | 0.29976(8) | 0.06092 (19) | |
S2系列 | 0.52726 (5) | 0.47218 (4) | 0.29794 (10) | 0.0731 (2) | |
C1类 | 1.2362 (2) | 0.63085 (15) | 0.9452 (3) | 0.0735(9) | |
上半年 | 1.2769 | 0.6556 | 1.0163 | 0.088* | |
指挥与控制 | 1.1484 (2) | 0.63280 (14) | 0.9201 (3) | 0.0684 (8) | |
氢气 | 1.1164 | 0.6595 | 0.9700 | 0.082* | |
C3类 | 1.1128 (2) | 0.59157 (13) | 0.8113 (3) | 0.0645 (7) | |
人3 | 1.0516 | 0.5839 | 0.7722 | 0.077* | |
补体第四成份 | 1.1794 (2) | 0.56275 (13) | 0.7670 (3) | 0.0715 (9) | |
H4型 | 1.1733 | 0.5309 | 0.6927 | 0.086* | |
C5级 | 1.2575 (2) | 0.58763 (16) | 0.8520 (3) | 0.0767 (9) | |
H5型 | 1.3153 | 0.5762 | 0.8470 | 0.092* | |
C6级 | 1.13272(18) | 0.75430 (12) | 0.7013 (3) | 0.0549 (6) | |
H6型 | 1.0933 | 0.7775 | 0.7435 | 0.066* | |
抄送7 | 1.2226 (2) | 0.75825 (13) | 0.7423(3) | 0.0626(7) | |
H7型 | 1.2563 | 0.7846 | 0.8180 | 0.075* | |
抄送8 | 1.25576 (18) | 0.71758 (14) | 0.6568 (3) | 0.0627 (7) | |
H8型 | 1.3164 | 0.7107 | 0.6626 | 0.075* | |
C9级 | 1.18615 (16) | 0.68793 (13) | 0.5619 (3) | 0.0522 (6) | |
H9型 | 1.1903 | 0.6567 | 0.4906 | 0.063* | |
C10号机组 | 1.10899 (16) | 0.71094 (11) | 0.5876 (2) | 0.0466 (5) | |
C11号机组 | 1.02391 (16) | 0.69136 (12) | 0.5079 (3) | 0.0505 (6) | |
H11型 | 1.0214 | 0.6562 | 0.4481 | 0.061* | |
第12项 | 0.94997 (17) | 0.71804 (13) | 0.5112 (3) | 0.0557 (6) | |
H12型 | 0.9518 | 0.7526 | 0.5720 | 0.067* | |
第13页 | 0.86658 (17) | 0.69846 (12) | 0.4291 (3) | 0.0544 (6) | |
第14项 | 0.78887 (17) | 0.72052 (12) | 0.4357 (3) | 0.0561(6) | |
H14型 | 0.7818 | 0.7526 | 0.4970 | 0.067* | |
第15项 | 0.71871 (16) | 0.69000 (12) | 0.3400 (3) | 0.0542 (6) | |
第16号 | 0.74438 (17) | 0.64556 (14) | 0.2583 (3) | 0.0571 (7) | |
第17页 | 0.6933 (2) | 0.60468 (18) | 0.1444 (3) | 0.0795 (9) | |
H17A型 | 0.6841 | 0.5614 | 0.1771 | 0.119* | |
17亿欧元 | 0.7238 | 0.6005 | 0.0763 | 0.119* | |
H17C型 | 0.6393 | 0.6258 | 0.1063 | 0.119* | |
第18号 | 0.62861 (17) | 0.70832 (13) | 0.3268(3) | 0.0620 (7) | |
第19号 | 0.6028 (2) | 0.78114 (15) | 0.3189 (5) | 0.1008 (14) | |
H19A型 | 0.6340 | 0.8051 | 0.3988 | 0.121美元* | |
19亿英镑 | 0.6129 | 0.8022 | 0.2395 | 0.121* | |
C20个 | 0.5089 (2) | 0.77870 (17) | 0.3104 (6) | 0.131 (2) | |
H20A型 | 0.4984 | 0.7991 | 0.3901 | 0.158* | |
H20B型 | 0.4771 | 0.8032 | 0.2316 | 0.158* | |
C21型 | 0.4803 (2) | 0.70885 (15) | 0.3005 (5) | 0.1016 (14) | |
H21A型 | 0.4405 | 0.7001 | 0.2134 | 0.122* | |
H21B型 | 0.4529 | 0.6982 | 0.3712 | 0.122* | |
C22型 | 0.56207 (18) | 0.66874 (13) | 0.3173(3) | 0.0614 (7) | |
C23型 | 0.56257(16) | 0.59575 (13) | 0.3313(3) | 0.0556 (6) | |
C24型 | 0.51200 (18) | 0.55265 (15) | 0.2419 (3) | 0.0662 (8) | |
C25型 | 0.4494 (2) | 0.5668(2) | 0.1076(4) | 0.1027 (13) | |
H25A型 | 0.3945 | 0.5771 | 0.1214 | 0.154* | |
H25B型 | 0.4444 | 0.5284 | 0.0505 | 0.154* | |
硫化氢 | 0.4692 | 0.6038 | 0.0653 | 0.154* | |
C26型 | 0.60271 (17) | 0.49488 (13) | 0.4437 (3) | 0.0577 (7) | |
第27页 | 0.61410 (16) | 0.56189 (12) | 0.4453 (3) | 0.0537 (6) | |
氢27 | 0.6526 | 0.5838 | 0.5155 | 0.064* | |
C28型 | 0.6330 (2) | 0.44476 (13) | 0.5490 (4) | 0.0702(8) | |
H28水 | 0.5915 | 0.4153 | 0.5610 | 0.084* | |
C29型 | 0.71134 (19) | 0.43497 (13) | 0.6305 (3) | 0.0624 (7) | |
H29型 | 0.7132 | 0.4042 | 0.6989 | 0.075* | |
C30型 | 0.79406 (18) | 0.46322 (11) | 0.6326 (3) | 0.0506 (6) | |
C31号机组 | 0.87099 (18) | 0.43925 (12) | 0.7245 (3) | 0.0566 (7) | |
第31页 | 0.8743 | 0.4048 | 0.7932 | 0.068* | |
C32号机组 | 0.94123 (18) | 0.47362 (13) | 0.6996 (3) | 0.0565 (7) | |
第32页 | 1.0015 | 0.4675 | 0.7480 | 0.068* | |
C33号机组 | 0.90878 (17) | 0.51926 (13) | 0.5932 (3) | 0.0527 (6) | |
H33型 | 0.9429 | 0.5504 | 0.5558 | 0.063* | |
C34号机组 | 0.81881 (16) | 0.51343 (12) | 0.5523(2) | 0.0488 (6) | |
H34型 | 0.7801 | 0.5394 | 0.4809 | 0.059* | |
C35号 | 0.7722 (2) | 0.57872 (16) | 0.8412(3) | 0.0757(9) | |
第35页 | 0.7121 | 0.5660 | 0.8257 | 0.091* | |
第36页 | 0.8428 (3) | 0.55120 (16) | 0.9403 (3) | 0.0789 (10) | |
H36型 | 0.8398 | 0.5159 | 1.0047 | 0.095* | |
第37号 | 0.9172 (3) | 0.58354 (17) | 0.9295 (3) | 0.0783 (9) | |
第37页 | 0.9755 | 0.5747 | 0.9844 | 0.094* | |
第38页 | 0.8932 (3) | 0.63091 (14) | 0.8256 (3) | 0.0757 (9) | |
H38型 | 0.9322 | 0.6606 | 0.7950 | 0.091* | |
第39号 | 0.8041 (2) | 0.62790(14) | 0.7715 (3) | 0.0730 (9) | |
第39页 | 0.7703 | 0.6554 | 0.6977 | 0.088* | |
原子位移参数(2) 顶部 | U型11 | U型22 | U型33 | U型12 | U型13 | U型23 |
铁1 | 0.0469 (2) | 0.03994(18) | 0.0420(2) | −0.00057 (14) | 0.00582 (15) | −0.00071 (13) |
二氧化铁 | 0.0689 (3) | 0.03710 (18) | 0.0412 (2) | 0.00647 (15) | 0.02141 (18) | 0.00049 (13) |
S1(第一阶段) | 0.0458 (4) | 0.0793 (5) | 0.0596(4) | 0.0111 (3) | 0.0175 (3) | 0.0092 (3) |
S2系列 | 0.0620 (5) | 0.0531 (4) | 0.0983 (6) | −0.0031 (3) | 0.0109 (4) | −0.0117 (4) |
C1类 | 0.092 (3) | 0.0645 (17) | 0.0478 (17) | 0.0004 (16) | −0.0099 (16) | 0.0038(13) |
指挥与控制 | 0.103 (3) | 0.0550 (16) | 0.0496 (16) | 0.0057 (16) | 0.0247(17) | 0.0095 (13) |
C3类 | 0.078(2) | 0.0512 (15) | 0.0620 (18) | −0.0120 (14) | 0.0140 (15) | 0.0107 (13) |
补体第四成份 | 0.125 (3) | 0.0383 (13) | 0.0476 (16) | 0.0070 (15) | 0.0166 (17) | 0.0002 (11) |
C5级 | 0.074 (2) | 0.0721(19) | 0.075(2) | 0.0266(16) | 0.0046 (17) | 0.0156 (17) |
C6级 | 0.0692 (18) | 0.0370 (12) | 0.0598 (16) | 0.0021 (11) | 0.0195 (14) | 0.0043 (11) |
抄送7 | 0.0720 (19) | 0.0471 (14) | 0.0637 (18) | −0.0175 (13) | 0.0093 (15) | −0.0020 (12) |
抄送8 | 0.0492 (15) | 0.0732 (18) | 0.0660 (18) | −0.0135 (13) | 0.0159 (14) | 0.0040 (14) |
C9级 | 0.0524 (15) | 0.0584 (14) | 0.0481 (14) | −0.0020 (12) | 0.0171 (12) | 0.0033 (11) |
C10号机组 | 0.0495 (14) | 0.0419 (12) | 0.0481 (14) | 0.0012(10) | 0.0124 (11) | 0.0105 (10) |
C11号机组 | 0.0517 (15) | 0.0482 (13) | 0.0501 (14) | 0.0019(11) | 0.0108 (12) | 0.0119 (11) |
第12项 | 0.0525 (16) | 0.0483 (13) | 0.0650 (17) | 0.0041 (11) | 0.0132 (13) | 0.0117 (12) |
第13页 | 0.0487 (15) | 0.0508 (14) | 0.0642(17) | 0.0041 (11) | 0.0158(13) | 0.0173(12) |
第14项 | 0.0525 (16) | 0.0449 (13) | 0.0732 (18) | 0.0044 (11) | 0.0206 (14) | 0.0089 (12) |
第15项 | 0.0441 (14) | 0.0480 (13) | 0.0729 (18) | 0.0057 (11) | 0.0196 (13) | 0.0159 (12) |
第16号 | 0.0442 (15) | 0.0680 (16) | 0.0604 (17) | 0.0091 (12) | 0.0157 (13) | 0.0149 (13) |
第17页 | 0.062(2) | 0.112 (3) | 0.063 (2) | 0.0095 (18) | 0.0143 (16) | −0.0079 (18) |
第18号 | 0.0473 (15) | 0.0493 (14) | 0.092 (2) | 0.0094 (11) | 0.0229 (15) | 0.0121 (14) |
第19号 | 0.062(2) | 0.0519 (17) | 0.186 (4) | 0.0107 (15) | 0.029 (2) | 0.013 (2) |
C20个 | 0.066 (2) | 0.0549 (19) | 0.283 (7) | 0.0160 (17) | 0.063(3) | 0.015 (3) |
C21型 | 0.0514 (19) | 0.0595 (18) | 0.193 (4) | 0.0157 (15) | 0.031 (2) | 0.012 (2) |
C22型 | 0.0469(15) | 0.0512 (14) | 0.087 (2) | 0.0089 (12) | 0.0192 (15) | 0.0102 (14) |
C23型 | 0.0392(14) | 0.0515 (14) | 0.0775 (19) | 0.0043(11) | 0.0180 (13) | 0.0046 (13) |
C24型 | 0.0463 (16) | 0.0678 (17) | 0.080 (2) | 0.0051 (13) | 0.0083 (15) | −0.0015 (15) |
C25型 | 0.088 (3) | 0.097 (3) | 0.102 (3) | 0.012 (2) | −0.011 (2) | 0.003 (2) |
C26型 | 0.0463 (14) | 0.0503 (14) | 0.0779 (19) | 0.0025 (11) | 0.0189 (13) | 0.0020 (13) |
第27页 | 0.0445 (14) | 0.0479 (13) | 0.0685 (17) | 0.0001 (11) | 0.0145 (13) | 0.0001(12) |
C28型 | 0.067 (2) | 0.0457 (14) | 0.103 (2) | −0.0035 (13) | 0.0322 (18) | 0.0130 (15) |
C29型 | 0.0710 (19) | 0.0430 (13) | 0.076 (2) | 0.0058 (13) | 0.0250 (16) | 0.0129 (13) |
C30型 | 0.0626 (16) | 0.0386 (12) | 0.0516 (15) | 0.0061(11) | 0.0172 (13) | −0.0024 (10) |
C31号机组 | 0.0739 (19) | 0.0387 (12) | 0.0553 (16) | 0.0136 (12) | 0.0140 (14) | 0.0015 (11) |
C32号机组 | 0.0584 (16) | 0.0516 (14) | 0.0584 (16) | 0.0130 (12) | 0.0134(13) | −0.0059(12) |
C33号机组 | 0.0570 (16) | 0.0598 (15) | 0.0446 (14) | 0.0027 (12) | 0.0195 (12) | −0.0057 (11) |
C34号机组 | 0.0581 (16) | 0.0500 (13) | 0.0402 (13) | 0.0079 (11) | 0.0164 (12) | 0.0002 (10) |
C35号 | 0.094 (2) | 0.074 (2) | 0.073 (2) | 0.0154 (18) | 0.0463 (19) | −0.0122 (16) |
第36页 | 0.133 (3) | 0.0688 (19) | 0.0482 (17) | 0.017(2) | 0.048 (2) | 0.0006 (14) |
第37号 | 0.102 (3) | 0.077 (2) | 0.0522 (18) | 0.0061 (19) | 0.0142 (18) | −0.0178 (16) |
第38页 | 0.115 (3) | 0.0445 (14) | 0.073 (2) | −0.0060 (16) | 0.035 (2) | −0.0138 (14) |
第39号 | 0.107 (3) | 0.0484 (15) | 0.069 (2) | 0.0223 (16) | 0.033 (2) | −0.0060 (14) |
几何参数(λ,º) 顶部
铁1-C7 | 2.027 (3) | C15至C16 | 1.364 (4) |
铁1-C6 | 2.027 (2) | C15至C18 | 1.479 (4) |
Fe1-C4 | 2.028 (3) | C16-C17号 | 1.489 (4) |
铁1-C5 | 2.029(3) | C17-H17A型 | 0.9600 |
Fe1-C3 | 2.032 (3) | C17-H17B型 | 0.9600 |
Fe1-C9 | 2.033 (2) | C17-H17C型 | 0.9600 |
Fe1-C1 | 2.034 (3) | C18-C22型 | 1.324 (4) |
铁1-C8 | 2.035 (3) | 第18页至第19页 | 1.520 (4) |
Fe1-C2 | 2.039 (3) | C19-C20型 | 1.503 (4) |
铁1-C10 | 2.049 (2) | C19-H19A型 | 0.9700 |
Fe2-C35 | 2.024 (3) | C19-H19B型 | 0.9700 |
Fe2-C31 | 2.029 (2) | C20-C21型 | 1.475 (4) |
Fe2-C36 | 2.031 (3) | C20-H20A型 | 0.9700 |
Fe2-C34 | 2.033 (2) | C20-H20B型 | 0.9700 |
Fe2-C30 | 2.037 (3) | C21-C22型 | 1.523 (4) |
Fe2-C39铁 | 2.037 (3) | C21-H21A型 | 0.9700 |
Fe2-C38铁 | 2.042 (3) | C21-H21B型 | 0.9700 |
Fe2-C37 | 2.044 (3) | C22-C23型 | 1.476 (3) |
Fe2-C33 | 2.047 (2) | C23-C24型 | 1.367 (4) |
Fe2-C32铁 | 2.050(3) | C23-C27型 | 1.419 (4) |
S1-C16号机组 | 1.732 (3) | C24-C25型 | 1.507 (4) |
S1-C13号机组 | 1.736 (3) | C25-H25A型 | 0.9600 |
S2-C24型 | 1.714 (3) | C25-H25B型 | 0.9600 |
S2-C26型 | 1.725 (3) | C25-H25C型 | 0.9600 |
C1-C2类 | 1.379 (5) | C26-C27型 | 1.361 (3) |
C1-C5号机组 | 1.401 (5) | C26-C28型 | 1.464 (4) |
C1-H1型 | 0.9800 | C27-H27型 | 0.9300 |
C2-C3型 | 1.388 (4) | C28-C29型 | 1.339 (4) |
C2-H2型 | 0.9800 | C28-H28型 | 0.9300 |
C3-C4型 | 1.403 (4) | C29-C30型 | 1.452 (4) |
C3-H3型 | 0.9800 | C29-H29型 | 0.9300 |
C4-C5型 | 1.426 (4) | C30-C34型 | 1.427 (3) |
C4-H4型 | 0.9800 | C30-C31型 | 1.434 (4) |
C5-H5型 | 0.9800 | C31至C32 | 1.413 (4) |
C6至C7 | 1.409 (4) | C31-H31 | 0.9800 |
C6-C10型 | 1.425 (3) | C32-C33 | 1.417 (4) |
C6-H6型 | 0.9800 | C32-H32型 | 0.9800 |
C7-C8 | 1.406 (4) | C33-C34型 | 1.413 (4) |
C7-H7型 | 0.9800 | C33-H33型 | 0.9800 |
C8-C9型 | 1.413 (4) | C34-H34型 | 0.9800 |
C8-H8型 | 0.9800 | C35-C39型 | 1.398 (4) |
C9-C10型 | 1.423 (3) | C35-C36型 | 1.427(5) |
C9-H9 | 0.9800 | C35-H35细胞 | 0.9800 |
C10-C11号机组 | 1.460 (3) | C36-C37型 | 1.402(5) |
C11-C12号机组 | 1.323 (3) | C36-H36型 | 0.9800 |
C11-H11型 | 0.9300 | C37-C38型 | 1.406 (4) |
C12-C13型 | 1.446 (4) | C37-H37型 | 0.9800 |
C12-H12型 | 0.9300 | C38至C39 | 1.406 (5) |
C13至C14 | 1.355 (3) | C38-H38型 | 0.9800 |
第14页至第15页 | 1.430 (4) | C39-H39型 | 0.9800 |
C14-H14型 | 0.9300 | | |
| | | |
C7-Fe1-C6 | 40.67 (11) | C10-C9-铁1 | 70.18 (14) |
C7-Fe1-C4 | 164.32 (14) | C8-C9-H9型 | 125.8 |
C6-Fe1-C4型 | 154.14 (13) | C10-C9-H9型 | 125.8 |
C7-Fe1-C5 | 125.86 (13) | Fe1-C9-H9 | 125.8 |
C6-Fe1-C5型 | 162.75 (13) | C9-C10-C6 | 106.9 (2) |
C4至F1至C5 | 41.16 (13) | C9-C10-C11 | 123.8 (2) |
C7-Fe1-C3 | 153.31 (13) | C6-C10-C11型 | 129.4 (2) |
C6-Fe1-C3型 | 119.51 (12) | C9-C10-Fe1 | 69.01(14) |
C4至F1至C3 | 40.45 (13) | C6-C10-Fe1 | 68.73 (14) |
C5-Fe1-C3型 | 68.11 (14) | C11-C10-Fe1号机组 | 127.14 (16) |
C7-Fe1-C9 | 68.31 (11) | C12-C11-C10 | 127.3 (3) |
C6-Fe1-C9 | 68.60 (11) | C12-C11-H11型 | 116.4 |
C4-Fe1-C9型 | 108.82 (11) | C10-C11-H11号机组 | 116.4 |
C5-Fe1-C9 | 120.56 (13) | C11-C12-C13型 | 126.1 (3) |
C3-Fe1-C9型 | 127.84 (11) | C11-C12-H12型 | 116.9 |
C7-Fe1-C1 | 107.42 (12) | C13-C12-H12型 | 116.9 |
C6-Fe1-C1 | 125.45 (12) | C14-C13-C12 | 128.4 (3) |
C4-Fe1-C1型 | 68.16 (12) | C14-C13-S1型 | 110.0 (2) |
C5-Fe1-C1型 | 40.35 (13) | C12-C13-S1型 | 121.6 (2) |
C3-Fe1-C1 | 67.22 (13) | C13-C14-C15型 | 114.0 (3) |
C9-Fe1-C1型 | 154.66 (14) | C13-C14-H14型 | 123 |
C7-Fe1-C8 | 40.51(12) | C15-C14-H14型 | 123 |
碳六-碳一碳八 | 68.46 (12) | C16-C15-C14型 | 112.7 (2) |
C4-Fe1-C8型 | 127.39 (13) | C16-C15-C18型 | 124.2 (3) |
C5-Fe1-C8 | 108.07 (14) | C14-C15-C18型 | 123.0 (3) |
C3-Fe1-C8型 | 165.24 (12) | C15-C16-C17型 | 130.4 (3) |
C9-Fe1-C8号机组 | 40.66 (11) | C15-C16-S1型 | 110.5 (2) |
C1-Fe1-C8号机组 | 119.81 (14) | C17-C16-S1型 | 119.1 (2) |
C7-Fe1-C2 | 119.27 (12) | C16-C17-H17A型 | 109.5 |
C6-Fe1-C2型 | 107.65 (12) | C16-C17-H17B型 | 109.5 |
C4-Fe1-C2型 | 67.62(12) | H17A-C17-H17B型 | 109.5 |
C5-Fe1-C2型 | 67.41 (14) | C16-C17-H17C型 | 109.5 |
C3-Fe1-C2型 | 39.85 (12) | H17A-C17-H17C型 | 109.5 |
C9-Fe1-C2型 | 164.61 (12) | H17B-C17-H17C | 109.5 |
C1-Fe1-C2号机组 | 39.59(13) | C22-C18-C15型 | 128.6 (2) |
C8-Fe1-C2 | 153.38 (13) | C22-C18-C19型 | 111.6 (2) |
C7-Fe1-C10 | 68.58 (11) | C15-C18-C19 | 119.8 (2) |
C6-Fe1-C10型 | 40.93 (10) | C20-C19-C18型 | 103.4 (3) |
C4-Fe1-C10型 | 120.06 (11) | C20-C19-H19A型 | 111.1 |
C5-Fe1-C10型 | 155.18 (12) | C18-C19-H19A型 | 111.1 |
C3-Fe1-C10型 | 108.47 (11) | C20-C19-H19B型 | 111.1 |
C9-Fe1-C10型 | 40.81 (10) | C18-C19-H19B型 | 111.1 |
C1-Fe1-C10号机组 | 163.04 (13) | H19A-C19-H19B | 109 |
C8-Fe1-C10 | 68.61(11) | C21-C20-C19型 | 109.3 (3) |
C2-Fe1-C10型 | 126.73 (12) | C21-C20-H20A型 | 109.8 |
C35-Fe2-C31 | 124.75 (13) | C19-C20-H20A型 | 109.8 |
C35-Fe2-C36 | 41.22 (13) | C21-C20-H20B | 109.8 |
C31-Fe2-C36 | 107.54 (12) | C19-C20-H20B型 | 109.8 |
C35-Fe2-C34 | 119.36 (13) | H20A-C20-H20B | 108.3 |
C31-Fe2-C34 | 68.86 (10) | C20-C21-C22型 | 104.4 (3) |
C36-Fe2-C34 | 155.24 (14) | C20-C21-H21A型 | 110.9 |
C35-Fe2-C30 | 105.92 (13) | C22-C21-H21A型 | 110.9 |
C31-Fe2-C30 | 41.31 (10) | C20-C21-H21B型 | 110.9 |
C36-Fe2-C30 | 119.98 (13) | C22-C21-H21B型 | 110.9 |
C34-Fe2-C30 | 41.04 (10) | H21A-C21-H21B型 | 108.9 |
C35-Fe2-C39 | 40.26 (13) | C18-C22-C23型 | 127.5 (2) |
C31-Fe2-C39 | 161.49 (14) | C18-C22-C21型 | 111.0 (2) |
C36-Fe2-C39 | 68.20 (13) | C23-C22-C21型 | 121.4 (2) |
C34-Fe2-C39 | 107.03 (12) | C24-C23-C27型 | 111.5 (2) |
C30-Fe2-C39 | 123.85 (13) | C24-C23-C22型 | 125.4 (3) |
C35-Fe2-C38 | 67.84 (14) | C27-C23-C22型 | 123.0 (3) |
C31-Fe2-C38 | 156.45(14) | C23-C24-C25型 | 129.3 (3) |
C36-Fe2-C38 | 67.62 (14) | C23-C24-S2型 | 111.5 (2) |
C34-Fe2-C38 | 125.41 (12) | C25-C24-S2型 | 119.2 (2) |
C30-Fe2-C38 | 161.53 (13) | C24-C25-H25A型 | 109.5 |
C39-Fe2-C38 | 40.34 (14) | C24-C25-H25B型 | 109.5 |
C35-Fe2-C37 | 68.47 (15) | H25A-C25-H25B型 | 109.5 |
C31-Fe2-C37 | 121.12 (13) | C24-C25-H25C型 | 109.5 |
C36-Fe2-C37 | 40.23 (14) | H25A-C25-H25C型 | 109.5 |
C34-Fe2-C37 | 162.62 (13) | H25B-C25-H25C | 109.5 |
C30-Fe2-C37 | 155.61 (13) | C27-C26-C28型 | 131.0 (3) |
C39-Fe2-C37 | 68.08 (14) | C27-C26-S2型 | 109.6(2) |
C38-Fe2-C37 | 40.25 (13) | C28-C26-S2型 | 118.7 (2) |
C35-Fe2-C33 | 154.96 (13) | C26-C27-C23型 | 114.7 (3) |
C31-Fe2-C33 | 68.18 (11) | C26-C27-H27型 | 122.7 |
C36-Fe2-C33 | 162.80(14) | C23-C27-H27型 | 122.7 |
C34-Fe2-C33 | 40.53 (10) | C29-C28-C26型 | 129.8 (3) |
C30-Fe2-C33 | 68.60 (11) | C29-C28-H28型 | 115.1 |
C39-Fe2-C33 | 121.19 (12) | C26-C28-H28型 | 115.1 |
C38-Fe2-C33 | 109.22 (13) | C28-C29-C30型 | 132.3 (3) |
C37-Fe2-C33 | 126.47 (13) | C28-C29-H29型 | 113.9 |
C35-Fe2-C32 | 162.43 (13) | C30-C29-H29型 | 113.9 |
C31-Fe2-C32 | 40.53 (11) | C34-C30-C31 | 106.8 (2) |
C36-Fe2-C32 | 125.60(13) | C34-C30-C29型 | 132.0 (2) |
C34-Fe2-C32 | 68.51 (10) | C31-C30-C29型 | 121.2 (2) |
C30-Fe2-C32 | 68.93 (11) | C34-C30-Fe2 | 69.33(14) |
C39-Fe2-C32 | 156.43 (13) | C31-C30-Fe2 | 69.05 (14) |
C38-Fe2-C32 | 122.16 (14) | C29-C30-Fe2 | 128.01 (19) |
C37-Fe2-C32 | 108.88 (13) | C32-C31-C30 | 108.6 (2) |
C33-Fe2-C32 | 40.47 (10) | C32-C31-Fe2 | 70.54 (14) |
C16-S1-C13型 | 92.67 (13) | C30-C31-Fe2 | 69.64 (13) |
C24-S2-C26型 | 92.68 (14) | C32-C31-H31 | 125.7 |
C2-C1-C5型 | 108.6 (3) | C30-C31-H31 | 125.7 |
C2-C1-Fe1 | 70.43 (17) | Fe2-C31-H31 | 125.7 |
C5-C1-Fe1型 | 69.64 (17) | C31-C32-C33 | 107.7 (2) |
C2-C1-H1型 | 125.7 | C31-C32-Fe2 | 68.93 (15) |
C5-C1-H1 | 125.7 | C33-C32-Fe2 | 69.64 (14) |
铁1-C1-H1 | 125.7 | C31-C32-H32 | 126.2 |
C1-C2-C3 | 108.9 (3) | C33-C32-H32 | 126.2 |
C1-C2-Fe1 | 69.99 (18) | Fe2-C32-H32 | 126.2 |
C3-C2-Fe1 | 69.78 (16) | C34-C33-C32 | 108.6 (2) |
C1-C2-H2 | 125.6 | C34-C33-Fe2 | 69.21 (14) |
C3-C2-H2 | 125.6 | C32-C33-Fe2 | 69.90 (15) |
Fe1-C2-H2 | 125.6 | C34-C33-H33 | 125.7 |
C2-C3-C4型 | 108.4 (3) | C32-C33-H33 | 125.7 |
C2-C3-Fe1 | 70.37 (17) | Fe2-C33-H33 | 125.7 |
C4-C3-Fe1型 | 69.61 (17) | C33-C34-C30型 | 108.3 (2) |
C2-C3-H3型 | 125.8 | C33-C34-Fe2 | 70.26(14) |
C4-C3-H3型 | 125.8 | C30-C34-Fe2 | 69.63 (14) |
铁1-C3-H3 | 125.8 | C33-C34-H34 | 125.9 |
C3-C4-C5型 | 107.0 (3) | C30-C34-H34 | 125.9 |
C3-C4-Fe1 | 69.94 (15) | Fe2-C34-H34铁 | 125.9 |
C5-C4-铁1 | 69.48 (16) | C39-C35-C36 | 107.6 (3) |
C3-C4-H4型 | 126.5 | C39-C35-Fe2 | 70.36 (17) |
C5-C4-H4 | 126.5 | C36-C35-Fe2 | 69.63 (17) |
铁1-C4-H4 | 126.5 | C39-C35-H35 | 126.2 |
C1-C5-C4 | 107.2 (3) | C36-C35-H35 | 126.2 |
C1-C5-Fe1 | 70.01 (17) | Fe2-C35-H35 | 126.2 |
C4-C5-Fe1型 | 69.37 (16) | C37-C36-C35 | 108.0 (3) |
C1-C5-H5型 | 126.4 | C37-C36-Fe2 | 70.41 (17) |
C4-C5-H5型 | 126.4 | C35-C36-Fe2 | 69.15(16) |
铁1-C5-H5 | 126.4 | C37-C36-H36 | 126 |
C7-C6-C10型 | 108.2 (2) | C35-C36-H36 | 126 |
C7-C6-Fe1号机组 | 69.64 (15) | Fe2-C36-H36铁 | 126 |
C10-C6-铁1 | 70.34 (13) | C36-C37-C38 | 107.6 (3) |
C7-C6-H6型 | 125.9 | C36-C37-Fe2 | 69.35 (18) |
C10-C6-H6型 | 125.9 | C38-C37-Fe2 | 69.79 (17) |
铁1-C6-H6 | 125.9 | C36-C37-H37 | 126.2 |
C8-C7-C6 | 108.5 (2) | C38-C37-H37 | 126.2 |
C8-C7-Fe1 | 70.07 (15) | Fe2-C37-H37 | 126.2 |
C6-C7-Fe1 | 69.69 (14) | C37-C38-C39 | 108.6 (3) |
C8-C7-H7型 | 125.7 | C37-C38-Fe2 | 69.95 (17) |
C6-C7-H7型 | 125.7 | C39-C38-Fe2 | 69.62 (17) |
Fe1-C7-H7 | 125.7 | C37-C38-H38 | 125.7 |
C7-C8-C9 | 107.9(3) | C39-C38-H38 | 125.7 |
C7-C8-Fe1 | 69.42 (15) | Fe2-C38-H38铁 | 125.7 |
C9-C8-Fe1 | 69.60 (14) | C35-C39-C38 | 108.1 (3) |
C7-C8-H8型 | 126.1 | C35-C39-Fe2 | 69.39 (16) |
C9-C8-H8 | 126.1 | C38-C39-Fe2 | 70.04 (17) |
铁1-C8-H8 | 126.1 | C35-C39-H39 | 126 |
C8-C9-C10型 | 108.5 (2) | C38-C39-H39 | 126 |
C8-C9-Fe1号机组 | 69.74 (15) | Fe2-C39-H39 | 126 |
| | | |
C7-Fe1-C1-C2 | 115.13 (19) | C19-C18-C22-C23型 | −174.8 (3) |
C6-Fe1-C1-C2 | 73.9 (2) | C15-C18-C22-C21型 | −178.1(3) |
C4-Fe1-C1-C2 | −80.9 (2) | C19-C18-C22-C21 | 0.4 (5) |
C5-Fe1-C1-C2 | −119.5 (3) | C20-C21-C22-C18型 | −3.6 (5) |
C3-Fe1-C1-C2 | −36.98 (18) | C20-C21-C22-C23型 | 172.0 (4) |
C9-Fe1-C1-C2 | −168.9 (2) | C18-C22-C23-C24型 | −129.5 (4) |
C8-Fe1-C1-C2 | 157.52(18) | C21-C22-C23-C24 | 55.7 (5) |
C10-Fe1-C1-C2 | 41.6 (5) | C18-C22-C23-C27型 | 53.7 (5) |
C7-Fe1-C1-C5 | −125.4 (2) | C21-C22-C23-C27 | −121.1(4) |
C6-Fe1-C1-C5 | −166.6(2) | C27-C23-C24-C25 | −178.7 (3) |
C4-Fe1-C1-C5 | 38.6 (2) | C22-C23-C24-C25 | 4.2 (5) |
C3-Fe1-C1-C5 | 82.5 (2) | C27-C23-C24-S2 | 0.4 (3) |
C9-Fe1-C1-C5 | −49.4 (4) | C22-C23-C24-S2 | −176.7 (2) |
C8-Fe1-C1-C5 | −83.0 (2) | C26-S2-C24-C23 | −0.1 (2) |
C2-Fe1-C1-C5 | 119.5 (3) | C26-S2-C24-C25型 | 179.1 (3) |
C10-Fe1-C1-C5 | 161.1 (3) | C24-S2-C26-C27型 | −0.2 (2) |
C5-C1-C2-C3型 | −0.3 (3) | C24-S2-C26-C28型 | 171.1 (2) |
Fe1-C1-C2-C3 | 59.1 (2) | C28-C26-C27-C23 | −169.5 (3) |
C5-C1-C2-Fe1型 | −59.4 (2) | S2-C26-C27-C23号文件 | 0.4 (3) |
C7-Fe1-C2-C1 | −82.0 (2) | C24-C23-C27-C26 | −0.5 (3) |
C6-Fe1-C2-C1 | −124.77 (19) | C22-C23-C27-C26 | 176.7 (2) |
C4-Fe1-C2-C1 | 82.3(2) | C27-C26-C28-C29 | −48.4 (5) |
C5-Fe1-C2-C1 | 37.62 (19) | S2-C26-C28-C29 | 142.5 (3) |
C3-Fe1-C2-C1 | 120.1 (3) | C26-C28-C29-C30 | −9.4 (6) |
C9-Fe1-C2-C1 | 161.9 (4) | C28-C29-C30-C34型 | 3.7 (5) |
C8-Fe1-C2-C1 | −47.8 (4) | C28-C29-C30-C31 | −173.8 (3) |
C10-Fe1-C2-C1 | −166.03 (17) | C28-C29-C30-Fe2 | 99.4 (4) |
C7-Fe1-C2-C3 | 157.95 (19) | C35-Fe2-C30-C34 | 116.66 (17) |
C6-Fe1-C2-C3 | 115.18 (19) | C31-Fe2-C30-C34 | −118.4(2) |
C4-Fe1-C2-C3 | −37.72 (19) | C36-Fe2-C30-C34 | 159.07 (17) |
C5-Fe1-C2-C3 | −82.4 (2) | C39-Fe2-C30-C34 | 76.50 (19) |
碳九-碳一碳二碳三 | 41.8(5) | C38-Fe2-C30-C34 | 49.2 (4) |
C1-Fe1-C2-C3 | −120.1 (3) | C37-Fe2-C30-C34 | −170.5(3) |
C8-Fe1-C2-C3 | −167.8 (2) | C33-Fe2-C30-C34 | −37.51 (15) |
C10-Fe1-C2-C3 | 73.9 (2) | C32-Fe2-C30-C34 | −81.07 (16) |
C1-C2-C3-C4型 | 0.2(3) | C35-Fe2-C30-C31 | −124.97 (18) |
Fe1-C2-C3-C4 | 59.46 (19) | C36-Fe2-C30-C31 | −82.6 (2) |
C1-C2-C3-Fe1 | −59.3 (2) | C34-Fe2-C30-C31 | 118.4 (2) |
C7-Fe1-C3-C2 | −46.8 (4) | C39-Fe2-C30-C31 | −165.13 (17) |
C6-Fe1-C3-C2 | −82.3(2) | C38-Fe2-C30-C31 | 167.6 (4) |
C4-Fe1-C3-C2 | 119.3 (3) | C37-Fe2-C30-C31 | −52.1 (4) |
C5-Fe1-C3-C2 | 80.5 (2) | C33-Fe2-C30-C31 | 80.86(17) |
碳九碳一碳三碳二 | −167.04 (18) | C32-Fe2-C30-C31 | 37.30 (16) |
C1-Fe1-C3-C2 | 36.74 (19) | C35-Fe2-C30-C29 | −11.1 (3) |
C8-Fe1-C3-C2 | 158.2 (4) | C31-Fe2-C30-C29 | 113.9(3) |
C10-Fe1-C3-C2 | −125.71 (19) | C36-Fe2-C30-C29 | 31.3 (3) |
C7-Fe1-C3-C4 | −166.1 (2) | C34-Fe2-C30-C29 | −127.8 (3) |
C6-Fe1-C3-C4 | 158.41 (17) | C39-Fe2-C30-C29 | −51.3 (3) |
C5-Fe1-C3-C4 | −38.79 (18) | C38-Fe2-C30-C29 | −78.5 (5) |
C9-Fe1-C3-C4 | 73.6(2) | C37-Fe2-C30-C29 | 61.8 (4) |
C1-Fe1-C3-C4 | −82.6 (2) | C33-Fe2-C30-C29 | −165.3 (3) |
C8-Fe1-C3-C4 | 38.9 (5) | C32-Fe2-C30-C29 | 151.2(3) |
C2-Fe1-C3-C4型 | −119.3 (3) | C34-C30-C31-C32 | −0.7 (3) |
C10-Fe1-C3-C4 | 114.98 (18) | C29-C30-C31-C32 | 177.4 (2) |
C2-C3-C4-C5型 | 0.0 (3) | Fe2-C30-C31-C32 | −59.98 (18) |
Fe1-C3-C4-C5 | 59.9 (2) | C34-C30-C31-Fe2 | 59.31 (16) |
C2-C3-C4-Fe1型 | −59.93 (19) | C29-C30-C31-Fe2 | −122.6 (2) |
C7-Fe1-C4-C3 | 156.5 (4) | C35-Fe2-C31-C32 | −166.94 (18) |
C6-Fe1-C4-C3 | −47.2 (3) | C36-Fe2-C31-C32 | −124.74 (19) |
C5-Fe1-C4-C3 | 118.0 (3) | C34-Fe2-C31-C32 | 81.25 (17) |
碳九碳一碳四碳三 | −126.82 (17) | C30-Fe2-C31-C32 | 119.5 (2) |
C1-Fe1-C4-C3 | 80.0 (2) | C39-Fe2-C31-C32 | 161.7 (3) |
C8-Fe1-C4-C3 | −168.37 (17) | C38-Fe2-C31-C32 | −50.7(4) |
C2-Fe1-C4-C3型 | 37.18 (18) | C37-Fe2-C31-C32 | −82.9 (2) |
C10-Fe1-C4-C3 | −83.42 (19) | C33-Fe2-C31-C32 | 37.55 (16) |
C7-Fe1-C4-C5 | 38.6 (5) | C35-Fe2-C31-C30 | 73.5 (2) |
C6-Fe1-C4-C5 | −165.2 (2) | C36-Fe2-C31-C30 | 115.73 (19) |
C3-Fe1-C4-C5 | −118.0 (3) | C34-Fe2-C31-C30 | −38.28 (15) |
C9-Fe1-C4-C5 | 115.2 (2) | C39-Fe2-C31-C30 | 42.2 (4) |
C1-Fe1-C4-C5 | −37.9 (2) | C38-Fe2-C31-C30 | −170.2 (3) |
C8-Fe1-C4-C5 | 73.7 (2) | C37-Fe2-C31-C30 | 157.62 (18) |
C2-Fe1-C4-C5 | −80.8 (2) | C33-Fe2-C31-C30 | −81.97 (17) |
C10-Fe1-C4-C5 | 158.63(19) | C32-Fe2-C31-C30 | −119.5 (2) |
C2-C1-C5-C4型 | 0.2 (4) | C30-C31-C32-C33 | 0.4 (3) |
Fe1-C1-C5-C4 | −59.6 (2) | 铁-C31-C32-C33 | −59.07 (17) |
C2-C1-C5-Fe1型 | 59.9 (2) | C30-C31-C32-Fe2 | 59.43 (17) |
C3-C4-C5-C1型 | −0.1 (3) | C35-Fe2-C32-C31 | 38.0 (5) |
铁1-C4-C5-C1 | 60.1 (2) | C36-Fe2-C32-C31 | 74.5 (2) |
C3-C4-C5-Fe1 | −60.18 (19) | C34-Fe2-C32-C31 | −82.19 (17) |
C7-Fe1-C5-C1 | 73.7 (3) | C30-Fe2-C32-C31 | −37.99 (16) |
C6-Fe1-C5-C1 | 39.6 (5) | C39-Fe2-C32-C31 | −165.6 (3) |
C4-Fe1-C5-C1 | −118.3 (3) | C38-Fe2-C32-C31 | 158.60 (17) |
C3-Fe1-C5-C1 | −80.1 (2) | C37-Fe2-C32-C31 | 116.14(18) |
碳九-碳一-碳五-碳一 | 157.8 (2) | C33-Fe2-C32-C31 | −119.3 (2) |
C8-Fe1-C5-C1 | 115.1 (2) | C35-Fe2-C32-C33 | 157.3 (4) |
C2-Fe1-C5-C1型 | −36.9 (2) | C31-Fe2-C32-C33 | 119.3 (2) |
C10-Fe1-C5-C1 | −167.0 (3) | C36-Fe2-C32-C33 | −166.17 (18) |
C7-Fe1-C5-C4 | −168.00 (19) | C34-Fe2-C32-C33 | 37.14 (15) |
C6-Fe1-C5-C4 | 157.9 (4) | C30-Fe2-C32-C33 | 81.33 (17) |
C3-Fe1-C5-C4 | 38.14 (18) | C39-Fe2-C32-C33 | −46.2 (4) |
C9-Fe1-C5-C4 | −83.9 (2) | C38-Fe2-C32-C33 | −82.1 (2) |
C1-Fe1-C5-C4 | 118.3 (3) | C37-Fe2-C32-C33 | −124.54 (18) |
C8-Fe1-C5-C4 | −126.68 (19) | C31-C32-C33-C34 | 0.1 (3) |
C2-Fe1-C5-C4型 | 81.3(2) | Fe2-C32-C33-C34 | −58.52 (17) |
C10-Fe1-C5-C4 | −48.7 (4) | C31-C32-C33-Fe2 | 58.63 (18) |
C4-Fe1-C6-C7型 | −170.4 (2) | C35-Fe2-C33-C34 | −43.8 (3) |
C5-Fe1-C6-C7 | 44.2 (5) | C31-Fe2-C33-C34 | 82.56 (16) |
C3-Fe1-C6-C7 | 156.43 (17) | C36-Fe2-C33-C34 | 161.3 (4) |
C9-Fe1-C6-C7 | −81.20 (18) | C30-Fe2-C33-C34 | 37.98 (14) |
C1-Fe1-C6-C7号机组 | 74.7 (2) | C39-Fe2-C33-C34 | −79.6 (2) |
C8-Fe1-C6-C7 | −37.37 (17) | C38-Fe2-C33-C34 | −122.45 (17) |
C2-Fe1-C6-C7型 | 114.65 (19) | C37-Fe2-C33-C34 | −164.09 (17) |
C10-Fe1-C6-C7号机组 | −119.1 (2) | C32-Fe2-C33-C34 | 120.2 (2) |
C7-Fe1-C6-C10 | 119.1 (2) | C35-Fe2-C33-C32 | −164.0(3) |
C4-Fe1-C6-C10 | −51.3 (3) | C31-Fe2-C33-C32 | −37.61 (16) |
C5-Fe1-C6-C10 | 163.3 (4) | C36-Fe2-C33-C32 | 41.1 (5) |
C3-Fe1-C6-C10 | −84.43 (18) | C34-Fe2-C33-C32 | −120.2 (2) |
C9-Fe1-C6-C10 | 37.93 (15) | C30-Fe2-C33-C32 | −82.20 (17) |
C1-Fe1-C6-C10 | −166.21 (17) | C39-Fe2-C33-C32 | 160.27 (19) |
C8-Fe1-C6-C10 | 81.77 (16) | C38-Fe2-C33-C32 | 117.37 (19) |
C2-Fe1-C6-C10 | −126.22 (17) | C37-Fe2-C33-C32 | 75.7 (2) |
C10-C6-C7-C8 | −0.5 (3) | C32-C33-C34-C30 | −0.5 (3) |
铁1-C6-C7-C8 | 59.50 (19) | Fe2-C33-C34-C30 | −59.47 (17) |
C10-C6-C7-Fe1 | −60.00 (17) | C32-C33-C34-Fe2 | 58.95(17) |
C6-Fe1-C7-C8 | −119.7 (2) | C31-C30-C34-C33 | 0.7 (3) |
C4-Fe1-C7-C8型 | 44.7 (5) | C29-C30-C34-C33 | −177.0 (3) |
C5-Fe1-C7-C8 | 75.1 (2) | Fe2-C30-C34-C33 | 59.87 (17) |
C3-Fe1-C7-C8 | −170.4 (2) | C31-C30-C34-Fe2 | −59.14 (17) |
C9-Fe1-C7-C8 | −37.69 (17) | C29-C30-C34-Fe2 | 123.1 (3) |
C1-Fe1-C7-C8型 | 115.8 (2) | C35-Fe2-C34-C33 | 160.35 (17) |
C2-Fe1-C7-C8型 | 157.18 (18) | C31-Fe2-C34-C33 | −80.73 (16) |
C10-Fe1-C7-C8号机组 | −81.72 (18) | C36-Fe2-C34-C33 | −166.9 (3) |
C4-Fe1-C7-C6 | 164.4(4) | C30-Fe2-C34-C33 | −119.2 (2) |
C5-Fe1-C7-C6 | −165.22 (18) | C39-Fe2-C34-C33 | 118.37 (18) |
C3-Fe1-C7-C6 | −50.8 (3) | C38-Fe2-C34-C33 | 77.9(2) |
碳九-碳一-碳七-碳六 | 81.97 (18) | C37-Fe2-C34-C33 | 47.5 (5) |
C1-Fe1-C7-C6 | −124.57 (19) | C32-Fe2-C34-C33 | −37.08 (15) |
C8-Fe1-C7-C6 | 119.7 (2) | C35-Fe2-C34-C30 | −80.40 (18) |
C2-Fe1-C7-C6 | −83.2 (2) | C31-Fe2-C34-C30 | 38.52 (16) |
C10-Fe1-C7-C6 | 37.93 (16) | C36-Fe2-C34-C30 | −47.6 (3) |
C6-C7-C8-C9 | −0.1 (3) | C39-Fe2-C34-C30 | −122.38 (17) |
Fe1-C7-C8-C9 | 59.18 (19) | C38-Fe2-C34-C30 | −162.88 (18) |
C6-C7-C8-Fe1 | −59.27 (18) | C37-Fe2-C34-C30 | 166.8(4) |
C6-Fe1-C8-C7 | 37.51 (17) | C33-Fe2-C34-C30 | 119.2 (2) |
C4-Fe1-C8-C7型 | −166.15 (18) | C32-Fe2-C34-C30 | 82.17 (16) |
C5-Fe1-C8-C7 | −124.52(19) | C31-Fe2-C35-C39 | −165.2 (2) |
C3-Fe1-C8-C7 | 163.0 (4) | C36-Fe2-C35-C39 | 118.4(3) |
C9-Fe1-C8-C7 | 119.3 (3) | C34-Fe2-C35-C39 | −81.7 (2) |
C1-Fe1-C8-C7 | −82.0 (2) | C30-Fe2-C35-C39 | −124.0 (2) |
C2-Fe1-C8-C7型 | −49.0 (3) | C38-Fe2-C35-C39 | 37.6 (2) |
C10-Fe1-C8-C7 | 81.65 (18) | C37-Fe2-C35-C39 | 81.1 (2) |
C7-Fe1-C8-C9 | −119.3 (3) | C33-Fe2-C35-C39 | −50.6 (4) |
C6-Fe1-C8-C9 | −81.81 (18) | C32-Fe2-C35-C39 | 165.7 (4) |
C4-Fe1-C8-C9 | 74.5(2) | C31-Fe2-C35-C36 | 76.4 (2) |
C5-Fe1-C8-C9 | 116.16 (18) | C34-Fe2-C35-C36 | 159.89 (19) |
C3-Fe1-C8-C9 | 43.7 (5) | C30-Fe2-C35-C36 | 117.6 (2) |
C1-Fe1-C8-C9 | 158.69 (17) | C39-Fe2-C35-C36 | −118.4(3) |
C2-Fe1-C8-C9 | −168.4 (2) | C38-Fe2-C35-C36 | −80.8 (2) |
C10-Fe1-C8-C9 | −37.67 (16) | C37-Fe2-C35-C36 | −37.3 (2) |
C7-C8-C9-C10 | 0.6(3) | C33-Fe2-C35-C36 | −169.0 (3) |
铁1-C8-C9-C10 | 59.71 (17) | C32-Fe2-C35-C36 | 47.3 (5) |
C7-C8-C9-Fe1号机组 | −59.06 (19) | C39-C35-C36-C37 | −0.4 (3) |
C7-Fe1-C9-C8 | 37.55 (17) | 铁2-C35-C36-C37 | 59.9 (2) |
C6-Fe1-C9-C8 | 81.43 (18) | C39-C35-C36-Fe2 | −60.4(2) |
C4-Fe1-C9-C8型 | −126.01 (19) | C35-Fe2-C36-C37 | −119.1 (3) |
C5-Fe1-C9-C8 | −82.3 (2) | C31-Fe2-C36-C37 | 117.7 (2) |
C3-Fe1-C9-C8 | −167.13(18) | C34-Fe2-C36-C37 | −164.8 (2) |
C1-Fe1-C9-C8号机组 | −47.5 (3) | C30-Fe2-C36-C37 | 161.10 (19) |
C2-Fe1-C9-C8型 | 160.1 (4) | C39-Fe2-C36-C37 | −81.4 (2) |
C10-Fe1-C9-C8号机组 | 119.5 (2) | C38-Fe2-C36-C37 | −37.7 (2) |
C7-Fe1-C9-C10 | −81.91 (17) | C33-Fe2-C36-C37 | 45.0 (5) |
C6-Fe1-C9-C10 | −38.03 (15) | C32-Fe2-C36-C37 | 76.7 (2) |
C4-Fe1-C9-C10 | 114.53 (17) | C31-Fe2-C36-C35 | −123.1 (2) |
C5-Fe1-C9-C10 | 158.27 (17) | C34-Fe2-C36-C35 | −45.7 (4) |
C3-Fe1-C9-C10 | 73.4 (2) | C30-Fe2-C36-C35 | −79.8 (2) |
C1-Fe1-C9-C10 | −166.9 (2) | C39-Fe2-C36-C35 | 37.7 (2) |
C8-Fe1-C9-C10 | −119.5 (2) | C38-Fe2-C36-C35 | 81.4(2) |
C2-Fe1-C9-C10 | 40.6 (5) | C37-Fe2-C36-C35 | 119.1 (3) |
C8-C9-C10-C6 | −0.9(3) | C33-Fe2-C36-C35 | 164.2 (4) |
Fe1-C9-C10-C6 | 58.50 (16) | C32-Fe2-C36-C35 | −164.17 (19) |
C8-C9-C10-C11号机组 | 179.1 (2) | C35-C36-C37-C38 | 0.4 (3) |
Fe1-C9-C10-C11 | −121.4 (2) | 铁2-C36-C37-C38 | 59.5 (2) |
C8-C9-C10-Fe1 | −59.44 (18) | C35-C36-C37-Fe2 | −59.1 (2) |
C7-C6-C10-C9 | 0.9(3) | C35-Fe2-C37-C36 | 38.2 (2) |
Fe1-C6-C10-C9 | −58.68 (16) | C31-Fe2-C37-C36 | −80.3(2) |
C7-C6-C10-C11 | −179.2 (2) | C34-Fe2-C37-C36 | 158.5 (3) |
Fe1-C6-C10-C11 | 121.2 (2) | C30-Fe2-C37-C36 | −42.8 (4) |
C7-C6-C10-Fe1 | 59.56 (17) | C39-Fe2-C37-C36 | 81.7(2) |
C7-Fe1-C10-C9 | 81.19 (17) | C38-Fe2-C37-C36 | 118.9 (3) |
C6-Fe1-C10-C9 | 118.9 (2) | C33-Fe2-C37-C36 | −164.92 (18) |
C4-Fe1-C10-C9 | −84.26 (19) | C32-Fe2-C37-C36 | −123.3 (2) |
C5-Fe1-C10-C9 | −49.4 (3) | C35-Fe2-C37-C38 | −80.7 (2) |
C3-Fe1-C10-C9 | −127.06 (16) | C31-Fe2-C37-C38 | 160.8 (2) |
C1-Fe1-C10-C9 | 160.6 (4) | C36-Fe2-C37-C38 | −118.9 (3) |
C8-Fe1-C10-C9 | 37.53 (16) | C34-Fe2-C37-C38 | 39.6 (5) |
C2-Fe1-C10-C9 | −167.55 (16) | C30-Fe2-C37-C38 | −161.7 (3) |
C7-Fe1-C10-C6 | −37.70 (17) | C39-Fe2-C37-C38 | −37.2 (2) |
C4-Fe1-C10-C6 | 156.85 (17) | C33-Fe2-C37-C38 | 76.1(2) |
C5-Fe1-C10-C6型 | −168.3 (3) | C32-Fe2-C37-C38 | 117.8 (2) |
C3-Fe1-C10-C6 | 114.05 (17) | C36-C37-C38-C39 | −0.2(3) |
C9-Fe1-C10-C6 | −118.9 (2) | 铁2-C37-C38-C39 | 59.1 (2) |
C1-Fe1-C10-C6 | 41.7 (4) | C36-C37-C38-Fe2 | −59.2 (2) |
C8-Fe1-C10-C6 | −81.35 (17) | C35-Fe2-C38-C37 | 82.4 (2) |
C2-Fe1-C10-C6 | 73.57 (19) | C31-Fe2-C38-C37 | −44.9 (4) |
C7-Fe1-C10-C11 | −161.7 (3) | C36-Fe2-C38-C37 | 37.7 (2) |
C6-Fe1-C10-C11 | −124.0 (3) | C34-Fe2-C38-C37 | −166.5(2) |
C4-Fe1-C10-C11型 | 32.9 (3) | C30-Fe2-C38-C37 | 155.9 (4) |
C5-Fe1-C10-C11 | 67.7 (4) | C39-Fe2-C38-C37 | 119.9 (3) |
C3-Fe1-C10-C11 | −9.9(3) | C33-Fe2-C38-C37 | −124.2 (2) |
C9-Fe1-C10-C11 | 117.1 (3) | C32-Fe2-C38-C37 | −81.3 (2) |
C1-Fe1-C10-C11 | −82.2 (5) | C35-Fe2-C38-C39 | −37.49 (19) |
C8-Fe1-C10-C11 | 154.7 (3) | C31-Fe2-C38-C39 | −164.8 (3) |
C2-Fe1-C10-C11型 | −50.4 (3) | C36-Fe2-C38-C39 | −82.2 (2) |
C9-C10-C11-C12 | −168.4 (2) | C34-Fe2-C38-C39 | 73.6 (2) |
C6-C10-C11-C12 | 11.6 (4) | C30-Fe2-C38-C39 | 36.0 (5) |
Fe1-C10-C11-C12 | 103.5 (3) | C37-Fe2-C38-C39 | −119.9 (3) |
C10-C11-C12-C13 | 178.7 (2) | C33-Fe2-C38-C39 | 115.9 (2) |
C11-C12-C13-C14 | 174.4(3) | C32-Fe2-C38-C39 | 158.80 (18) |
C11-C12-C13-S1 | −6.8 (4) | C36-C35-C39-C38 | 0.3 (3) |
C16-S1-C13-C14 | −1.3 (2) | 铁2-C35-C39-C38 | −59.6 (2) |
C16-S1-C13-C12 | 179.7(2) | C36-C35-C39-Fe2 | 59.9 (2) |
C12-C13-C14-C15 | −179.3 (2) | C37-C38-C39-C35 | −0.1 (3) |
S1-C13-C14-C15 | 1.8 (3) | 铁2-C38-C39-C35 | 59.2 (2) |
C13-C14-C15-C16 | −1.5 (3) | C37-C38-C39-Fe2 | −59.3 (2) |
C13-C14-C15-C18 | −177.9 (2) | C31-Fe2-C39-C35 | 41.4 (5) |
C14-C15-C16-C17 | −178.2(3) | C36-Fe2-C39-C35 | −38.6 (2) |
C18-C15-C16-C17 | −1.9 (5) | C34-Fe2-C39-C35 | 115.6 (2) |
C14-C15-C16-S1 | 0.5 (3) | C30-Fe2-C39-C35 | 73.7 (2) |
C18-C15-C16-S1 | 176.8 (2) | C38-Fe2-C39-C35 | −119.3 (3) |
C13-S1-C16-C15 | 0.4 (2) | C37-Fe2-C39-C35 | −82.1 (2) |
C13-S1-C16-C17 | 179.3 (2) | C33-Fe2-C39-C35 | 157.5 (2) |
C16-C15-C18-C22 | 50.1 (5) | C32-Fe2-C39-C35 | −169.3 (3) |
C14-C15-C18-C22 | −133.9(3) | C35-Fe2-C39-C38 | 119.3 (3) |
C16-C15-C18-C19 | −128.3 (3) | C31-Fe2-C39-C38 | 160.7 (3) |
C14-C15-C18-C19 | 47.7 (4) | C36-Fe2-C39-C38 | 80.7 (2) |
C22-C18-C19-C20 | 2.9 (5) | C34-Fe2-C39-C38 | −125.14 (19) |
C15-C18-C19-C20 | −178.4 (4) | C30-Fe2-C39-C38 | −167.04 (18) |
C18-C19-C20-C21型 | −5.2 (6) | C37-Fe2-C39-C38 | 37.2 (2) |
C19-C20-C21-C22型 | 5.4 (6) | C33-Fe2-C39-C38 | −83.2 (2) |
C15-C18-C22-C23型 | 6.7 (6) | C32-Fe2-C39-C38 | −50.0 (4) |