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metal-organic compounds
The 1,1′-bis(diphenylphosphino)ferrocene ligand chelates to the CuI atom forming the centrosymmetric title dimer [Cu2(NCS)2(C34H28P2)2]·2CH2Cl2. The thiocyanate ions bridge the Cu atoms, which show tetrahedral coordination. The solvent molecules are disordered over twofold rotation axes.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804013637/su6112sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804013637/su6112Isup2.hkl |
CCDC reference: 245117
Key indicators
- Single-crystal X-ray study
- T = 123 K
- Mean (C-C) = 0.007 Å
- Disorder in solvent or counterion
- R factor = 0.056
- wR factor = 0.166
- Data-to-parameter ratio = 17.9
checkCIF/PLATON results
No syntax errors found
Alert level B ABSTM02_ALERT_3_B The ratio of expected to reported Tmax/Tmin(RR') is < 0.75 Tmin and Tmax reported: 0.312 0.636 Tmin' and Tmax expected: 0.562 0.636 RR' = 0.555 Please check that your absorption correction is appropriate. PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large ............. 0.54
Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT213_ALERT_2_C Atom C16 has ADP max/min Ratio ............. 3.50 prolat PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors .... C36 PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors .... C37 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 50.00 Perc. PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 7 PLAT411_ALERT_2_C Short Inter H...H Contact H16 .. H16 .. 2.10 Ang. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 89.00 A 3 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 254 C16 -FE1 -C22 -P2 102.00 3.00 1.555 1.555 1.555 1.555 PLAT721_ALERT_1_C Bond Calc 1.00017, Rep 0.99000 Dev... 0.01 Ang. C37 -H37A 1.555 1.555 PLAT721_ALERT_1_C Bond Calc 0.97808, Rep 0.99000 Dev... 0.01 Ang. C37 -H37B 1.555 1.555 PLAT722_ALERT_1_C Angle Calc 108.84, Rep 109.90 Dev... 1.06 Deg. CL3 -C37 -H37A 1.555 1.555 1.555 PLAT722_ALERT_1_C Angle Calc 111.02, Rep 109.90 Dev... 1.12 Deg. CL4 -C37 -H37B 1.555 1.555 1.555 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 3 C2 H4 Cl4
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 17 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion
Computing details top
Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-II (Johnson, 1976); software used to prepare material for publication: SHELXL97.
Bis[1,1'-bis(diphenylphosphino)ferrocenethiocyanatocopper(I)] dichloromethane
disolvate top
Crystal data top
[Cu(C34H28P2)(SCN)]2.2CH2Cl2 | F(000) = 3104 |
Mr = 1521.80 | Dx = 1.423 Mg m−3 Dm = 1.460 Mg m−3 Dm measured by Flotation in CH3OH/CCl4 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2yc | Cell parameters from 3724 reflections |
a = 27.253 (2) Å | θ = 2.4–26.4° |
b = 16.662 (1) Å | µ = 1.33 mm−1 |
c = 17.179 (1) Å | T = 123 K |
β = 114.429 (1)° | Block, orange |
V = 7102.6 (7) Å3 | 0.42 × 0.39 × 0.34 mm |
Z = 4 |
Data collection top
Bruker APEX area-detector diffractometer | 7360 independent reflections |
Radiation source: fine-focus sealed tube | 6058 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.039 |
φ and ω scan | θmax = 26.5°, θmin = 1.5° |
Absorption correction: multi-scan SADABS (Bruker, 2002) | h = −34→33 |
Tmin = 0.312, Tmax = 0.636 | k = −20→20 |
20031 measured reflections | l = −21→15 |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.056 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.166 | H-atom parameters constrained |
S = 1.05 | w = 1/[σ2(Fo2) + (0.0898P)2 + 19.286P] where P = (Fo2 + 2Fc2)/3 |
7360 reflections | (Δ/σ)max = 0.001 |
412 parameters | Δρmax = 1.10 e Å−3 |
42 restraints | Δρmin = −1.01 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Cu1 | 0.70762 (2) | 0.32251 (3) | 0.59026 (3) | 0.0173 (2) | |
Fe1 | 0.56436 (2) | 0.37527 (3) | 0.59348 (3) | 0.0192 (2) | |
Cl1 | −0.0260 (4) | 0.3256 (5) | 0.1767 (6) | 0.144 (2) | 0.50 |
Cl2 | 0.0354 (4) | 0.3560 (5) | 0.3656 (6) | 0.144 (2) | 0.50 |
Cl3 | 0.0516 (6) | 0.4211 (9) | −0.1200 (8) | 0.289 (5) | 0.50 |
Cl4 | 0.0195 (6) | 0.3845 (9) | −0.2994 (8) | 0.289 (5) | 0.50 |
S1 | 0.79461 (4) | 0.36866 (6) | 0.60923 (7) | 0.0231 (2) | |
P1 | 0.69552 (4) | 0.32217 (6) | 0.71195 (6) | 0.0158 (2) | |
P2 | 0.64191 (4) | 0.39349 (6) | 0.48389 (6) | 0.0164 (2) | |
N1 | 0.8008 (1) | 0.2816 (2) | 0.4734 (2) | 0.0214 (7) | |
C1 | 0.7474 (2) | 0.3727 (2) | 0.8039 (2) | 0.021 (1) | |
C2 | 0.7367 (2) | 0.4267 (3) | 0.8574 (3) | 0.027 (1) | |
C3 | 0.7791 (2) | 0.4615 (3) | 0.9262 (3) | 0.035 (1) | |
C4 | 0.8316 (2) | 0.4431 (3) | 0.9417 (3) | 0.037 (1) | |
C5 | 0.8427 (2) | 0.3899 (3) | 0.8897 (3) | 0.034 (1) | |
C6 | 0.8012 (2) | 0.3552 (3) | 0.8204 (3) | 0.026 (1) | |
C7 | 0.6898 (2) | 0.2252 (2) | 0.7579 (3) | 0.020 (1) | |
C8 | 0.6877 (2) | 0.2220 (3) | 0.8375 (3) | 0.028 (1) | |
C9 | 0.6793 (2) | 0.1496 (3) | 0.8694 (3) | 0.037 (1) | |
C10 | 0.6741 (2) | 0.0797 (3) | 0.8232 (4) | 0.040 (1) | |
C11 | 0.6777 (2) | 0.0825 (3) | 0.7465 (4) | 0.040 (1) | |
C12 | 0.6850 (2) | 0.1554 (2) | 0.7124 (3) | 0.027 (1) | |
C13 | 0.6332 (2) | 0.3677 (2) | 0.7042 (2) | 0.020 (1) | |
C14 | 0.6186 (2) | 0.4504 (2) | 0.6822 (2) | 0.026 (1) | |
C15 | 0.5667 (2) | 0.4629 (3) | 0.6803 (3) | 0.035 (1) | |
C16 | 0.5481 (2) | 0.3887 (4) | 0.6978 (3) | 0.038 (1) | |
C17 | 0.5891 (2) | 0.3301 (3) | 0.7137 (3) | 0.026 (1) | |
C18 | 0.5324 (2) | 0.4194 (2) | 0.4719 (2) | 0.021 (1) | |
C19 | 0.4933 (2) | 0.3728 (3) | 0.4858 (3) | 0.026 (1) | |
C20 | 0.5136 (2) | 0.2936 (3) | 0.5074 (3) | 0.027 (1) | |
C21 | 0.5660 (2) | 0.2915 (2) | 0.5079 (2) | 0.022 (1) | |
C25 | 0.5760 (2) | 0.3202 (3) | 0.2321 (3) | 0.037 (1) | |
C26 | 0.6201 (2) | 0.3238 (3) | 0.2116 (3) | 0.027 (1) | |
C27 | 0.6691 (2) | 0.3488 (3) | 0.2721 (3) | 0.027 (1) | |
C28 | 0.6747 (2) | 0.3709 (2) | 0.3532 (3) | 0.022 (1) | |
C29 | 0.6437 (2) | 0.5033 (2) | 0.4853 (2) | 0.019 (1) | |
C30 | 0.6096 (2) | 0.5506 (2) | 0.4181 (3) | 0.021 (1) | |
C31 | 0.6118 (2) | 0.6339 (2) | 0.4252 (3) | 0.026 (1) | |
C32 | 0.6481 (2) | 0.6699 (2) | 0.4987 (3) | 0.027 (1) | |
C33 | 0.6831 (2) | 0.6239 (3) | 0.5655 (3) | 0.027 (1) | |
C34 | 0.6813 (2) | 0.5407 (2) | 0.5585 (3) | 0.024 (1) | |
C35 | 0.7986 (2) | 0.3176 (2) | 0.5293 (3) | 0.018 (1) | |
C36 | −0.019 (1) | 0.388 (1) | 0.267 (1) | 0.21 (2) | 0.50 |
C37 | 0.060 (1) | 0.352 (2) | −0.193 (1) | 0.23 (2) | 0.50 |
H2 | 0.7006 | 0.4395 | 0.8468 | 0.032* | |
H3 | 0.7717 | 0.4980 | 0.9625 | 0.042* | |
H4 | 0.8604 | 0.4673 | 0.9886 | 0.044* | |
H5 | 0.8790 | 0.3769 | 0.9015 | 0.041* | |
H6 | 0.8091 | 0.3195 | 0.7840 | 0.031* | |
H8 | 0.6920 | 0.2697 | 0.8700 | 0.034* | |
H9 | 0.6771 | 0.1479 | 0.9231 | 0.044* | |
H10 | 0.6680 | 0.0301 | 0.8449 | 0.048* | |
H11 | 0.6753 | 0.0341 | 0.7158 | 0.047* | |
H12 | 0.6866 | 0.1568 | 0.6582 | 0.032* | |
H14 | 0.6412 | 0.4919 | 0.6704 | 0.031* | |
H15 | 0.5462 | 0.5146 | 0.6664 | 0.042* | |
H16 | 0.5124 | 0.3793 | 0.6998 | 0.046* | |
H17 | 0.5872 | 0.2725 | 0.7289 | 0.031* | |
H18 | 0.5289 | 0.4775 | 0.4557 | 0.025* | |
H19 | 0.4576 | 0.3925 | 0.4816 | 0.031* | |
H20 | 0.4948 | 0.2479 | 0.5213 | 0.033* | |
H21 | 0.5903 | 0.2436 | 0.5215 | 0.026* | |
C22 | 0.57786 (16) | 0.3696 (2) | 0.4859 (2) | 0.0186 (8) | |
C23 | 0.63042 (16) | 0.3680 (2) | 0.3744 (2) | 0.0176 (8) | |
C24 | 0.58139 (18) | 0.3428 (3) | 0.3131 (3) | 0.0319 (10) | |
H24 | 0.5509 | 0.3410 | 0.3266 | 0.038* | |
H25 | 0.5421 | 0.3023 | 0.1909 | 0.044* | |
H26 | 0.6164 | 0.3091 | 0.1560 | 0.032* | |
H27 | 0.6994 | 0.3509 | 0.2582 | 0.032* | |
H28 | 0.7087 | 0.3882 | 0.3945 | 0.026* | |
H30 | 0.5847 | 0.5261 | 0.3671 | 0.025* | |
H31 | 0.5881 | 0.6660 | 0.3794 | 0.031* | |
H32 | 0.6490 | 0.7268 | 0.5034 | 0.033* | |
H33 | 0.7083 | 0.6489 | 0.6159 | 0.033* | |
H34 | 0.7058 | 0.5090 | 0.6039 | 0.029* | |
H36a | −0.0129 | 0.4441 | 0.2549 | 0.247* | 0.50 |
H36b | −0.0534 | 0.3863 | 0.2743 | 0.247* | 0.50 |
H37a | 0.0480 | 0.2976 | −0.1834 | 0.279* | 0.50 |
H37b | 0.0980 | 0.3489 | −0.1829 | 0.279* | 0.50 |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Cu1 | 0.0222 (3) | 0.0178 (3) | 0.0137 (3) | 0.0052 (2) | 0.0094 (2) | 0.0000 (2) |
Fe1 | 0.0234 (3) | 0.0251 (3) | 0.0109 (3) | 0.0081 (2) | 0.0089 (2) | 0.0015 (2) |
Cl1 | 0.145 (3) | 0.139 (4) | 0.160 (5) | −0.025 (3) | 0.075 (4) | −0.005 (3) |
Cl2 | 0.145 (3) | 0.139 (4) | 0.160 (5) | −0.025 (3) | 0.075 (4) | −0.005 (3) |
Cl3 | 0.291 (7) | 0.258 (7) | 0.284 (7) | 0.055 (5) | 0.086 (5) | −0.016 (5) |
Cl4 | 0.291 (7) | 0.258 (7) | 0.284 (7) | 0.055 (5) | 0.086 (5) | −0.016 (5) |
S1 | 0.0275 (5) | 0.0230 (5) | 0.0229 (5) | −0.0032 (4) | 0.0143 (5) | −0.0092 (4) |
P1 | 0.0219 (5) | 0.0145 (5) | 0.0125 (5) | 0.0054 (4) | 0.0086 (4) | 0.0020 (4) |
P2 | 0.0208 (5) | 0.0181 (5) | 0.0109 (5) | 0.0027 (4) | 0.0071 (4) | 0.0000 (4) |
N1 | 0.026 (2) | 0.020 (2) | 0.021 (2) | 0.003 (1) | 0.012 (2) | −0.001 (1) |
C1 | 0.031 (2) | 0.019 (2) | 0.012 (2) | 0.001 (2) | 0.009 (2) | 0.003 (2) |
C2 | 0.034 (2) | 0.026 (2) | 0.019 (2) | 0.003 (2) | 0.011 (2) | −0.003 (2) |
C3 | 0.053 (3) | 0.030 (2) | 0.018 (2) | 0.000 (2) | 0.009 (2) | −0.004 (2) |
C4 | 0.042 (3) | 0.040 (3) | 0.020 (2) | −0.010 (2) | 0.004 (2) | 0.003 (2) |
C5 | 0.031 (2) | 0.040 (3) | 0.026 (2) | −0.006 (2) | 0.007 (2) | 0.007 (2) |
C6 | 0.030 (2) | 0.028 (2) | 0.019 (2) | 0.002 (2) | 0.010 (2) | 0.005 (2) |
C7 | 0.021 (2) | 0.018 (2) | 0.023 (2) | 0.010 (2) | 0.011 (2) | 0.006 (2) |
C8 | 0.040 (3) | 0.022 (2) | 0.029 (2) | 0.013 (2) | 0.020 (2) | 0.009 (2) |
C9 | 0.049 (3) | 0.032 (2) | 0.040 (3) | 0.014 (2) | 0.029 (3) | 0.017 (2) |
C10 | 0.050 (3) | 0.023 (2) | 0.056 (3) | 0.007 (2) | 0.031 (3) | 0.018 (2) |
C11 | 0.051 (3) | 0.018 (2) | 0.054 (3) | 0.001 (2) | 0.027 (3) | 0.000 (2) |
C12 | 0.035 (2) | 0.020 (2) | 0.027 (2) | 0.004 (2) | 0.014 (2) | 0.001 (2) |
C13 | 0.026 (2) | 0.023 (2) | 0.012 (2) | 0.007 (2) | 0.009 (2) | 0.000 (2) |
C14 | 0.036 (2) | 0.023 (2) | 0.012 (2) | 0.016 (2) | 0.004 (2) | −0.001 (2) |
C15 | 0.045 (3) | 0.043 (3) | 0.010 (2) | 0.028 (2) | 0.006 (2) | 0.000 (2) |
C16 | 0.026 (2) | 0.081 (4) | 0.011 (2) | 0.021 (2) | 0.011 (2) | 0.004 (2) |
C17 | 0.028 (2) | 0.042 (3) | 0.011 (2) | 0.006 (2) | 0.012 (2) | 0.006 (2) |
C18 | 0.023 (2) | 0.028 (2) | 0.010 (2) | 0.004 (2) | 0.006 (2) | 0.000 (2) |
C19 | 0.023 (2) | 0.041 (2) | 0.014 (2) | 0.005 (2) | 0.009 (2) | 0.000 (2) |
C20 | 0.032 (2) | 0.034 (2) | 0.018 (2) | −0.004 (2) | 0.013 (2) | −0.002 (2) |
C21 | 0.031 (2) | 0.022 (2) | 0.015 (2) | 0.000 (2) | 0.011 (2) | −0.002 (2) |
C22 | 0.026 (2) | 0.022 (2) | 0.011 (2) | 0.002 (2) | 0.010 (2) | 0.000 (2) |
C23 | 0.026 (2) | 0.014 (2) | 0.015 (2) | 0.003 (2) | 0.010 (2) | 0.001 (1) |
C24 | 0.025 (2) | 0.056 (3) | 0.018 (2) | −0.008 (2) | 0.012 (2) | −0.009 (2) |
C25 | 0.032 (3) | 0.058 (3) | 0.019 (2) | −0.015 (2) | 0.010 (2) | −0.014 (2) |
C26 | 0.038 (3) | 0.030 (2) | 0.015 (2) | 0.007 (2) | 0.014 (2) | 0.000 (2) |
C27 | 0.029 (2) | 0.034 (2) | 0.021 (2) | 0.008 (2) | 0.015 (2) | 0.004 (2) |
C28 | 0.020 (2) | 0.027 (2) | 0.018 (2) | 0.002 (2) | 0.009 (2) | 0.001 (2) |
C29 | 0.024 (2) | 0.019 (2) | 0.017 (2) | 0.003 (2) | 0.011 (2) | 0.001 (2) |
C30 | 0.028 (2) | 0.021 (2) | 0.013 (2) | 0.000 (2) | 0.009 (2) | −0.001 (2) |
C31 | 0.041 (3) | 0.020 (2) | 0.021 (2) | 0.005 (2) | 0.018 (2) | 0.008 (2) |
C32 | 0.044 (3) | 0.017 (2) | 0.029 (2) | −0.005 (2) | 0.024 (2) | −0.001 (2) |
C33 | 0.033 (2) | 0.027 (2) | 0.023 (2) | −0.008 (2) | 0.013 (2) | −0.009 (2) |
C34 | 0.026 (2) | 0.026 (2) | 0.019 (2) | 0.002 (2) | 0.007 (2) | −0.001 (2) |
C35 | 0.018 (2) | 0.015 (2) | 0.019 (2) | 0.000 (1) | 0.006 (2) | 0.002 (2) |
C36 | 0.20 (2) | 0.20 (2) | 0.20 (2) | 0.01 (1) | 0.07 (1) | −0.00 (1) |
C37 | 0.23 (2) | 0.23 (2) | 0.23 (2) | 0.01 (1) | 0.09 (1) | −0.01 (1) |
Geometric parameters (Å, º) top
Cu1—N1i | 2.013 (3) | C24—C25 | 1.390 (6) |
Cu1—P1 | 2.247 (1) | C25—C26 | 1.386 (6) |
Cu1—P2 | 2.289 (1) | C26—C27 | 1.374 (6) |
Cu1—S1 | 2.383 (1) | C27—C28 | 1.388 (6) |
Fe1—C13 | 2.050 (4) | C29—C30 | 1.391 (5) |
Fe1—C14 | 2.052 (4) | C29—C34 | 1.397 (6) |
Fe1—C15 | 2.070 (4) | C30—C31 | 1.392 (6) |
Fe1—C16 | 2.029 (4) | C31—C32 | 1.378 (6) |
Fe1—C17 | 2.034 (4) | C32—C33 | 1.383 (6) |
Fe1—C18 | 2.039 (4) | C33—C34 | 1.391 (6) |
Fe1—C19 | 2.053 (4) | Cl1—C36 | 1.81 (1) |
Fe1—C20 | 2.064 (4) | Cl2—C36 | 1.81 (1) |
Fe1—C21 | 2.041 (4) | Cl3—C37 | 1.78 (1) |
Fe1—C22 | 2.030 (4) | Cl4—C37 | 1.79 (1) |
S1—C35 | 1.657 (4) | C3—H3 | 0.95 |
P1—C13 | 1.814 (4) | C2—H2 | 0.95 |
P1—C1 | 1.832 (4) | C4—H4 | 0.95 |
P1—C7 | 1.832 (4) | C5—H5 | 0.95 |
P2—C22 | 1.805 (4) | C6—H6 | 0.95 |
P2—C23 | 1.825 (4) | C8—H8 | 0.95 |
P2—C29 | 1.830 (4) | C9—H9 | 0.95 |
N1—C35 | 1.153 (5) | C10—H10 | 0.95 |
C1—C2 | 1.399 (6) | C11—H11 | 0.95 |
C1—C6 | 1.406 (6) | C12—H12 | 0.95 |
C2—C3 | 1.391 (6) | C14—H14 | 1.00 |
C3—C4 | 1.379 (7) | C15—H15 | 1.00 |
C4—C5 | 1.379 (7) | C16—H16 | 1.00 |
C5—C6 | 1.384 (6) | C17—H17 | 1.00 |
C7—C12 | 1.377 (6) | C18—H18 | 1.00 |
C7—C8 | 1.393 (6) | C19—H19 | 1.00 |
C8—C9 | 1.382 (6) | C20—H20 | 1.00 |
C9—C10 | 1.382 (7) | C21—H21 | 1.00 |
C10—C11 | 1.363 (7) | C24—H24 | 0.95 |
C11—C12 | 1.399 (6) | C25—H25 | 0.95 |
C13—C17 | 1.426 (6) | C26—H26 | 0.95 |
C13—C14 | 1.441 (5) | C27—H27 | 0.95 |
C14—C15 | 1.416 (7) | C28—H28 | 0.95 |
C15—C16 | 1.416 (8) | C30—H30 | 0.95 |
C16—C17 | 1.423 (6) | C31—H31 | 0.95 |
C18—C19 | 1.417 (6) | C32—H32 | 0.95 |
C18—C22 | 1.427 (5) | C33—H33 | 0.95 |
C19—C20 | 1.419 (6) | C34—H34 | 0.95 |
C20—C21 | 1.426 (6) | C36—H36a | 0.99 |
C21—C22 | 1.430 (6) | C36—H36b | 0.99 |
C23—C24 | 1.380 (6) | C37—H37a | 0.99 |
C23—C28 | 1.397 (5) | C37—H37b | 0.99 |
N1i—Cu1—P1 | 118.4 (1) | C19—C20—C21 | 107.8 (4) |
N1i—Cu1—P2 | 97.8 (1) | C19—C20—Fe1 | 69.4 (3) |
N1i—Cu1—S1 | 103.6 (1) | C21—C20—Fe1 | 68.8 (2) |
P1—Cu1—P2 | 112.13 (4) | C20—C21—C22 | 108.1 (4) |
P1—Cu1—S1 | 113.21 (4) | C20—C21—Fe1 | 70.6 (2) |
P2—Cu1—S1 | 110.37 (4) | C22—C21—Fe1 | 69.0 (2) |
C13—Fe1—C14 | 41.1 (2) | C18—C22—C21 | 107.4 (4) |
C13—Fe1—C15 | 68.3 (2) | C18—C22—P2 | 130.4 (3) |
C13—Fe1—C16 | 68.8 (2) | C21—C22—P2 | 122.2 (3) |
C13—Fe1—C17 | 40.9 (2) | C18—C22—Fe1 | 69.8 (2) |
C13—Fe1—C18 | 144.3 (2) | C21—C22—Fe1 | 69.9 (2) |
C13—Fe1—C19 | 174.6 (2) | P2—C22—Fe1 | 123.2 (2) |
C13—Fe1—C21 | 110.0 (2) | C24—C23—C28 | 118.7 (4) |
C13—Fe1—C22 | 113.6 (2) | C24—C23—P2 | 123.7 (3) |
C14—Fe1—C15 | 40.2 (2) | C28—C23—P2 | 117.5 (3) |
C14—Fe1—C16 | 68.3 (2) | C23—C24—C25 | 120.9 (4) |
C14—Fe1—C17 | 68.8 (2) | C26—C25—C24 | 119.9 (4) |
C14—Fe1—C18 | 114.3 (2) | C27—C26—C25 | 119.6 (4) |
C14—Fe1—C19 | 143.4 (2) | C26—C27—C28 | 120.6 (4) |
C13—Fe1—C20 | 135.2 (2) | C27—C28—C23 | 120.2 (4) |
C14—Fe1—C20 | 176.2 (2) | C30—C29—C34 | 118.9 (4) |
C14—Fe1—C21 | 136.8 (2) | C30—C29—P2 | 123.4 (3) |
C14—Fe1—C22 | 111.0 (2) | C34—C29—P2 | 117.6 (3) |
C15—Fe1—C16 | 40.4 (2) | C29—C30—C31 | 120.2 (4) |
C15—Fe1—C17 | 68.3 (2) | C32—C31—C30 | 120.2 (4) |
C15—Fe1—C18 | 110.9 (2) | C31—C32—C33 | 120.4 (4) |
C15—Fe1—C19 | 113.6 (2) | C32—C33—C34 | 119.5 (4) |
C15—Fe1—C20 | 142.5 (2) | C33—C34—C29 | 120.6 (4) |
C15—Fe1—C21 | 176.7 (2) | N1—C35—S1 | 179.2 (4) |
C15—Fe1—C22 | 136.5 (2) | Cl2—C36—Cl1 | 113 (1) |
C16—Fe1—C17 | 41.0 (2) | Cl3—C37—Cl4 | 109 (1) |
C16—Fe1—C18 | 135.1 (2) | C3—C2—H2 | 120.0 |
C16—Fe1—C19 | 109.2 (2) | C1—C2—H2 | 120.0 |
C16—Fe1—C20 | 112.2 (2) | C4—C3—H3 | 119.9 |
C16—Fe1—C21 | 142.1 (2) | C2—C3—H3 | 119.9 |
C16—Fe1—C22 | 175.8 (2) | C3—C4—H4 | 119.8 |
C17—Fe1—C18 | 174.6 (2) | C5—C4—H4 | 119.8 |
C17—Fe1—C19 | 134.5 (2) | C4—C5—H5 | 119.8 |
C17—Fe1—C20 | 109.0 (2) | C6—C5—H5 | 119.8 |
C17—Fe1—C21 | 112.4 (2) | C5—C6—H6 | 120.0 |
C17—Fe1—C22 | 143.0 (2) | C1—C6—H6 | 120.0 |
C18—Fe1—C20 | 68.2 (2) | C9—C8—H8 | 119.9 |
C18—Fe1—C21 | 68.7 (2) | C7—C8—H8 | 119.9 |
C18—Fe1—C22 | 41.1 (2) | C8—C9—H9 | 119.9 |
C18—Fe1—C19 | 40.5 (2) | C10—C9—H9 | 119.9 |
C19—Fe1—C20 | 40.3 (2) | C11—C10—H10 | 120.2 |
C19—Fe1—C21 | 68.3 (2) | C9—C10—H10 | 120.2 |
C19—Fe1—C22 | 68.7 (2) | C10—C11—H11 | 119.5 |
C20—Fe1—C21 | 40.6 (2) | C12—C11—H11 | 119.5 |
C20—Fe1—C22 | 68.8 (2) | C7—C12—H12 | 120.3 |
C21—Fe1—C22 | 41.1 (2) | C11—C12—H12 | 120.3 |
C35—S1—Cu1 | 97.1 (1) | C15—C14—H14 | 125.9 |
C13—P1—C1 | 103.6 (2) | C13—C14—H14 | 125.9 |
C13—P1—C7 | 99.1 (2) | Fe1—C14—H14 | 125.9 |
C1—P1—C7 | 101.9 (2) | C14—C15—H15 | 126.0 |
C13—P1—Cu1 | 115.1 (1) | C16—C15—H15 | 126.0 |
C1—P1—Cu1 | 116.3 (1) | Fe1—C15—H15 | 126.0 |
C7—P1—Cu1 | 118.3 (1) | C15—C16—H16 | 125.7 |
C22—P2—C23 | 102.3 (2) | C17—C16—H16 | 125.7 |
C22—P2—C29 | 104.0 (2) | Fe1—C16—H16 | 125.7 |
C23—P2—C29 | 103.8 (2) | C16—C17—H17 | 126.0 |
C22—P2—Cu1 | 108.3 (1) | C13—C17—H17 | 126.0 |
C23—P2—Cu1 | 116.5 (1) | Fe1—C17—H17 | 126.0 |
C29—P2—Cu1 | 119.9 (1) | C19—C18—H18 | 125.9 |
C35—N1—Cu1i | 150.0 (3) | C22—C18—H18 | 125.9 |
C2—C1—C6 | 119.0 (4) | Fe1—C18—H18 | 125.9 |
C2—C1—P1 | 124.5 (3) | C18—C19—H19 | 125.8 |
C6—C1—P1 | 116.5 (3) | C20—C19—H19 | 125.8 |
C3—C2—C1 | 120.1 (4) | Fe1—C19—H19 | 125.8 |
C4—C3—C2 | 120.2 (4) | C19—C20—H20 | 126.1 |
C3—C4—C5 | 120.4 (4) | C21—C20—H20 | 126.1 |
C4—C5—C6 | 120.5 (5) | Fe1—C20—H20 | 126.1 |
C5—C6—C1 | 119.9 (4) | C20—C21—H21 | 125.9 |
C12—C7—C8 | 119.4 (4) | C22—C21—H21 | 125.9 |
C12—C7—P1 | 120.3 (3) | Fe1—C21—H21 | 125.9 |
C8—C7—P1 | 120.1 (3) | C23—C24—H24 | 119.5 |
C9—C8—C7 | 120.2 (4) | C25—C24—H24 | 119.5 |
C8—C9—C10 | 120.2 (4) | C26—C25—H25 | 120.0 |
C11—C10—C9 | 119.7 (4) | C24—C25—H25 | 120.0 |
C10—C11—C12 | 120.9 (5) | C27—C26—H26 | 120.2 |
C7—C12—C11 | 119.5 (4) | C25—C26—H26 | 120.2 |
C17—C13—C14 | 107.2 (4) | C26—C27—H27 | 119.7 |
C17—C13—P1 | 128.0 (3) | C28—C27—H27 | 119.7 |
C14—C13—P1 | 124.6 (3) | C27—C28—H28 | 119.9 |
C17—C13—Fe1 | 69.0 (2) | C23—C28—H28 | 119.9 |
C14—C13—Fe1 | 69.5 (2) | C29—C30—H30 | 119.9 |
P1—C13—Fe1 | 124.3 (2) | C31—C30—H30 | 119.9 |
C15—C14—C13 | 108.2 (4) | C32—C31—H31 | 119.9 |
C15—C14—Fe1 | 70.6 (3) | C30—C31—H31 | 119.9 |
C13—C14—Fe1 | 69.4 (2) | C31—C32—H32 | 119.8 |
C14—C15—C16 | 108.0 (4) | C33—C32—H32 | 119.8 |
C14—C15—Fe1 | 69.2 (2) | C32—C33—H33 | 120.2 |
C16—C15—Fe1 | 68.3 (3) | C34—C33—H33 | 120.2 |
C15—C16—C17 | 108.6 (4) | C33—C34—H34 | 119.7 |
C15—C16—Fe1 | 71.3 (2) | C29—C34—H34 | 119.7 |
C17—C16—Fe1 | 69.7 (2) | Cl2—C36—H36a | 109.0 |
C16—C17—C13 | 108.0 (4) | Cl1—C36—H36a | 109.0 |
C16—C17—Fe1 | 69.3 (2) | Cl2—C36—H36b | 109.0 |
C13—C17—Fe1 | 70.2 (2) | Cl1—C36—H36b | 109.0 |
C19—C18—C22 | 108.3 (4) | H36a—C36—H36b | 107.8 |
C19—C18—Fe1 | 70.2 (2) | Cl3—C37—H37a | 109.9 |
C22—C18—Fe1 | 69.1 (2) | Cl4—C37—H37a | 109.9 |
C18—C19—C20 | 108.4 (4) | Cl3—C37—H37b | 109.9 |
C18—C19—Fe1 | 69.2 (2) | Cl4—C37—H37b | 109.9 |
C20—C19—Fe1 | 70.3 (2) | H37a—C37—H37b | 108.3 |
N1i—Cu1—S1—C35 | 22.6 (2) | C19—Fe1—C17—C16 | −64.7 (4) |
P1—Cu1—S1—C35 | 152.1 (1) | C20—Fe1—C17—C16 | −102.4 (3) |
P2—Cu1—S1—C35 | −81.3 (1) | C15—Fe1—C17—C16 | 37.6 (3) |
N1i—Cu1—P1—C13 | −106.5 (2) | C16—Fe1—C17—C13 | −119.1 (4) |
P2—Cu1—P1—C13 | 6.2 (2) | C22—Fe1—C17—C13 | 58.9 (4) |
S1—Cu1—P1—C13 | 131.9 (2) | C21—Fe1—C17—C13 | 95.1 (3) |
N1i—Cu1—P1—C1 | 132.0 (2) | C14—Fe1—C17—C13 | −38.2 (2) |
P2—Cu1—P1—C1 | −115.2 (2) | C19—Fe1—C17—C13 | 176.2 (2) |
S1—Cu1—P1—C1 | 10.5 (2) | C20—Fe1—C17—C13 | 138.5 (2) |
N1i—Cu1—P1—C7 | 10.2 (2) | C15—Fe1—C17—C13 | −81.5 (3) |
P2—Cu1—P1—C7 | 122.9 (2) | C16—Fe1—C18—C19 | −62.8 (4) |
S1—Cu1—P1—C7 | −111.4 (2) | C22—Fe1—C18—C19 | 119.6 (3) |
N1i—Cu1—P2—C22 | 82.9 (2) | C21—Fe1—C18—C19 | 81.1 (3) |
P1—Cu1—P2—C22 | −42.1 (1) | C13—Fe1—C18—C19 | 176.1 (3) |
S1—Cu1—P2—C22 | −169.3 (1) | C14—Fe1—C18—C19 | −145.8 (2) |
N1i—Cu1—P2—C23 | −31.7 (2) | C20—Fe1—C18—C19 | 37.3 (2) |
P1—Cu1—P2—C23 | −156.8 (1) | C15—Fe1—C18—C19 | −102.3 (3) |
S1—Cu1—P2—C23 | 76.0 (2) | C16—Fe1—C18—C22 | 177.6 (3) |
N1i—Cu1—P2—C29 | −158.2 (2) | C21—Fe1—C18—C22 | −38.4 (2) |
P1—Cu1—P2—C29 | 76.8 (2) | C13—Fe1—C18—C22 | 56.6 (4) |
S1—Cu1—P2—C29 | −50.5 (2) | C14—Fe1—C18—C22 | 94.6 (3) |
C13—P1—C1—C2 | 6.2 (4) | C19—Fe1—C18—C22 | −119.6 (3) |
C7—P1—C1—C2 | −96.3 (4) | C20—Fe1—C18—C22 | −82.3 (3) |
Cu1—P1—C1—C2 | 133.5 (3) | C15—Fe1—C18—C22 | 138.1 (3) |
C13—P1—C1—C6 | −173.8 (3) | C22—C18—C19—C20 | −0.7 (5) |
C7—P1—C1—C6 | 83.7 (3) | Fe1—C18—C19—C20 | −59.6 (3) |
Cu1—P1—C1—C6 | −46.4 (3) | C22—C18—C19—Fe1 | 58.9 (3) |
C6—C1—C2—C3 | −0.6 (6) | C16—Fe1—C19—C18 | 138.3 (3) |
P1—C1—C2—C3 | 179.5 (3) | C22—Fe1—C19—C18 | −37.8 (2) |
C1—C2—C3—C4 | 0.1 (7) | C17—Fe1—C19—C18 | 177.2 (2) |
C2—C3—C4—C5 | −0.3 (7) | C21—Fe1—C19—C18 | −82.1 (2) |
C3—C4—C5—C6 | 1.0 (7) | C14—Fe1—C19—C18 | 59.1 (4) |
C4—C5—C6—C1 | −1.5 (7) | C20—Fe1—C19—C18 | −119.6 (3) |
C2—C1—C6—C5 | 1.2 (6) | C15—Fe1—C19—C18 | 95.0 (3) |
P1—C1—C6—C5 | −178.8 (3) | C16—Fe1—C19—C20 | −102.1 (3) |
C13—P1—C7—C12 | 115.4 (3) | C22—Fe1—C19—C20 | 81.8 (3) |
C1—P1—C7—C12 | −138.5 (3) | C17—Fe1—C19—C20 | −63.2 (3) |
Cu1—P1—C7—C12 | −9.6 (4) | C18—Fe1—C19—C20 | 119.6 (3) |
C13—P1—C7—C8 | −61.4 (4) | C21—Fe1—C19—C20 | 37.5 (2) |
C1—P1—C7—C8 | 44.7 (4) | C14—Fe1—C19—C20 | 178.8 (3) |
Cu1—P1—C7—C8 | 173.6 (3) | C15—Fe1—C19—C20 | −145.4 (3) |
C12—C7—C8—C9 | −1.8 (7) | C18—C19—C20—C21 | 0.7 (5) |
P1—C7—C8—C9 | 175.1 (4) | Fe1—C19—C20—C21 | −58.3 (3) |
C7—C8—C9—C10 | 1.3 (7) | C18—C19—C20—Fe1 | 58.9 (3) |
C8—C9—C10—C11 | 0.6 (8) | C16—Fe1—C20—C19 | 93.9 (3) |
C9—C10—C11—C12 | −2.0 (8) | C22—Fe1—C20—C19 | −81.8 (3) |
C8—C7—C12—C11 | 0.4 (6) | C17—Fe1—C20—C19 | 137.7 (2) |
P1—C7—C12—C11 | −176.5 (4) | C18—Fe1—C20—C19 | −37.5 (2) |
C10—C11—C12—C7 | 1.5 (7) | C21—Fe1—C20—C19 | −119.7 (4) |
C1—P1—C13—C17 | −116.8 (4) | C13—Fe1—C20—C19 | 175.6 (2) |
C7—P1—C13—C17 | −12.1 (4) | C15—Fe1—C20—C19 | 58.8 (4) |
Cu1—P1—C13—C17 | 115.1 (3) | C16—Fe1—C20—C21 | −146.4 (3) |
C1—P1—C13—C14 | 66.7 (4) | C22—Fe1—C20—C21 | 38.0 (2) |
C7—P1—C13—C14 | 171.4 (3) | C17—Fe1—C20—C21 | −102.6 (3) |
Cu1—P1—C13—C14 | −61.4 (4) | C18—Fe1—C20—C21 | 82.3 (3) |
C1—P1—C13—Fe1 | 154.2 (2) | C13—Fe1—C20—C21 | −64.7 (3) |
C7—P1—C13—Fe1 | −101.1 (3) | C19—Fe1—C20—C21 | 119.7 (4) |
Cu1—P1—C13—Fe1 | 26.1 (3) | C15—Fe1—C20—C21 | 178.5 (3) |
C16—Fe1—C13—C17 | 37.9 (3) | C19—C20—C21—C22 | −0.4 (5) |
C22—Fe1—C13—C17 | −145.8 (2) | Fe1—C20—C21—C22 | −59.0 (3) |
C18—Fe1—C13—C17 | 177.5 (3) | C19—C20—C21—Fe1 | 58.6 (3) |
C21—Fe1—C13—C17 | −101.5 (3) | C16—Fe1—C21—C20 | 56.5 (4) |
C14—Fe1—C13—C17 | 118.9 (3) | C22—Fe1—C21—C20 | −119.3 (4) |
C20—Fe1—C13—C17 | −62.7 (3) | C17—Fe1—C21—C20 | 93.4 (3) |
C15—Fe1—C13—C17 | 81.5 (3) | C18—Fe1—C21—C20 | −80.9 (3) |
C16—Fe1—C13—C14 | −80.9 (3) | C13—Fe1—C21—C20 | 137.3 (3) |
C22—Fe1—C13—C14 | 95.4 (3) | C14—Fe1—C21—C20 | 175.8 (3) |
C17—Fe1—C13—C14 | −118.9 (3) | C19—Fe1—C21—C20 | −37.2 (3) |
C18—Fe1—C13—C14 | 58.6 (4) | C16—Fe1—C21—C22 | 175.8 (3) |
C21—Fe1—C13—C14 | 139.7 (2) | C17—Fe1—C21—C22 | −147.3 (2) |
C20—Fe1—C13—C14 | 178.4 (3) | C18—Fe1—C21—C22 | 38.4 (2) |
C15—Fe1—C13—C14 | −37.4 (3) | C13—Fe1—C21—C22 | −103.4 (3) |
C16—Fe1—C13—P1 | 160.4 (3) | C14—Fe1—C21—C22 | −64.9 (3) |
C22—Fe1—C13—P1 | −23.3 (3) | C19—Fe1—C21—C22 | 82.1 (3) |
C17—Fe1—C13—P1 | 122.5 (4) | C20—Fe1—C21—C22 | 119.3 (4) |
C18—Fe1—C13—P1 | −60.0 (4) | C19—C18—C22—C21 | 0.5 (4) |
C21—Fe1—C13—P1 | 21.0 (3) | Fe1—C18—C22—C21 | 60.0 (3) |
C14—Fe1—C13—P1 | −118.7 (4) | C19—C18—C22—P2 | −176.6 (3) |
C20—Fe1—C13—P1 | 59.8 (4) | Fe1—C18—C22—P2 | −117.0 (3) |
C15—Fe1—C13—P1 | −156.0 (3) | C19—C18—C22—Fe1 | −59.5 (3) |
C17—C13—C14—C15 | 1.3 (5) | C20—C21—C22—C18 | −0.1 (4) |
P1—C13—C14—C15 | 178.4 (3) | Fe1—C21—C22—C18 | −60.0 (3) |
Fe1—C13—C14—C15 | 60.2 (3) | C20—C21—C22—P2 | 177.3 (3) |
C17—C13—C14—Fe1 | −58.9 (3) | Fe1—C21—C22—P2 | 117.3 (3) |
P1—C13—C14—Fe1 | 118.2 (3) | C20—C21—C22—Fe1 | 59.9 (3) |
C16—Fe1—C14—C15 | −36.9 (3) | C23—P2—C22—C18 | −94.3 (4) |
C22—Fe1—C14—C15 | 138.6 (3) | C29—P2—C22—C18 | 13.5 (4) |
C17—Fe1—C14—C15 | −81.1 (3) | Cu1—P2—C22—C18 | 142.0 (3) |
C18—Fe1—C14—C15 | 94.1 (3) | C23—P2—C22—C21 | 89.0 (3) |
C21—Fe1—C14—C15 | 178.2 (3) | C29—P2—C22—C21 | −163.2 (3) |
C13—Fe1—C14—C15 | −119.1 (4) | Cu1—P2—C22—C21 | −34.7 (3) |
C19—Fe1—C14—C15 | 56.4 (4) | C23—P2—C22—Fe1 | 174.8 (2) |
C16—Fe1—C14—C13 | 82.1 (3) | C29—P2—C22—Fe1 | −77.4 (3) |
C22—Fe1—C14—C13 | −102.3 (3) | Cu1—P2—C22—Fe1 | 51.1 (2) |
C17—Fe1—C14—C13 | 37.9 (2) | C17—Fe1—C22—C18 | 174.4 (3) |
C18—Fe1—C14—C13 | −146.8 (2) | C21—Fe1—C22—C18 | 118.3 (3) |
C21—Fe1—C14—C13 | −62.7 (3) | C13—Fe1—C22—C18 | −147.9 (2) |
C19—Fe1—C14—C13 | 175.4 (3) | C14—Fe1—C22—C18 | −103.3 (2) |
C15—Fe1—C14—C13 | 119.1 (4) | C19—Fe1—C22—C18 | 37.3 (2) |
C13—C14—C15—C16 | −2.1 (5) | C20—Fe1—C22—C18 | 80.7 (3) |
Fe1—C14—C15—C16 | 57.3 (3) | C15—Fe1—C22—C18 | −65.0 (3) |
C13—C14—C15—Fe1 | −59.4 (3) | C17—Fe1—C22—C21 | 56.2 (4) |
C16—Fe1—C15—C14 | 120.5 (4) | C18—Fe1—C22—C21 | −118.3 (3) |
C22—Fe1—C15—C14 | −63.8 (3) | C13—Fe1—C22—C21 | 93.8 (3) |
C17—Fe1—C15—C14 | 82.3 (3) | C14—Fe1—C22—C21 | 138.4 (2) |
C18—Fe1—C15—C14 | −103.4 (3) | C19—Fe1—C22—C21 | −81.0 (3) |
C13—Fe1—C15—C14 | 38.2 (2) | C20—Fe1—C22—C21 | −37.5 (2) |
C19—Fe1—C15—C14 | −147.2 (3) | C15—Fe1—C22—C21 | 176.7 (3) |
C20—Fe1—C15—C14 | 175.6 (3) | C16—Fe1—C22—P2 | 102 (3) |
C22—Fe1—C15—C16 | 175.7 (3) | C17—Fe1—C22—P2 | −59.8 (4) |
C17—Fe1—C15—C16 | −38.2 (3) | C18—Fe1—C22—P2 | 125.7 (4) |
C18—Fe1—C15—C16 | 136.1 (3) | C21—Fe1—C22—P2 | −116.0 (3) |
C13—Fe1—C15—C16 | −82.3 (3) | C13—Fe1—C22—P2 | −22.1 (3) |
C14—Fe1—C15—C16 | −120.5 (4) | C14—Fe1—C22—P2 | 22.4 (3) |
C19—Fe1—C15—C16 | 92.3 (3) | C19—Fe1—C22—P2 | 163.1 (3) |
C20—Fe1—C15—C16 | 55.1 (4) | C20—Fe1—C22—P2 | −153.5 (3) |
C14—C15—C16—C17 | 2.1 (5) | C15—Fe1—C22—P2 | 60.7 (3) |
Fe1—C15—C16—C17 | 60.0 (3) | C22—P2—C23—C24 | 4.1 (4) |
C14—C15—C16—Fe1 | −57.9 (3) | C29—P2—C23—C24 | −103.8 (4) |
C17—Fe1—C16—C15 | 118.9 (4) | Cu1—P2—C23—C24 | 122.1 (4) |
C18—Fe1—C16—C15 | −66.4 (4) | C22—P2—C23—C28 | −173.0 (3) |
C21—Fe1—C16—C15 | 176.7 (3) | C29—P2—C23—C28 | 79.0 (3) |
C13—Fe1—C16—C15 | 81.1 (3) | Cu1—P2—C23—C28 | −55.1 (3) |
C14—Fe1—C16—C15 | 36.7 (3) | C28—C23—C24—C25 | 0.6 (7) |
C19—Fe1—C16—C15 | −104.2 (3) | P2—C23—C24—C25 | −176.5 (4) |
C20—Fe1—C16—C15 | −147.3 (3) | C23—C24—C25—C26 | −0.9 (8) |
C18—Fe1—C16—C17 | 174.6 (3) | C24—C25—C26—C27 | 0.9 (7) |
C21—Fe1—C16—C17 | 57.8 (4) | C25—C26—C27—C28 | −0.5 (7) |
C13—Fe1—C16—C17 | −37.8 (3) | C26—C27—C28—C23 | 0.1 (6) |
C14—Fe1—C16—C17 | −82.2 (3) | C24—C23—C28—C27 | −0.1 (6) |
C19—Fe1—C16—C17 | 136.9 (3) | P2—C23—C28—C27 | 177.1 (3) |
C20—Fe1—C16—C17 | 93.8 (3) | C22—P2—C29—C30 | −67.3 (4) |
C15—Fe1—C16—C17 | −118.9 (4) | C23—P2—C29—C30 | 39.4 (4) |
C15—C16—C17—C13 | −1.3 (5) | Cu1—P2—C29—C30 | 171.6 (3) |
Fe1—C16—C17—C13 | 59.8 (3) | C22—P2—C29—C34 | 112.1 (3) |
C15—C16—C17—Fe1 | −61.0 (3) | C23—P2—C29—C34 | −141.2 (3) |
C14—C13—C17—C16 | 0.0 (5) | Cu1—P2—C29—C34 | −9.0 (4) |
P1—C13—C17—C16 | −177.0 (3) | C34—C29—C30—C31 | −2.2 (6) |
Fe1—C13—C17—C16 | −59.2 (3) | P2—C29—C30—C31 | 177.2 (3) |
C14—C13—C17—Fe1 | 59.2 (3) | C29—C30—C31—C32 | 0.6 (6) |
P1—C13—C17—Fe1 | −117.7 (3) | C30—C31—C32—C33 | 0.8 (7) |
C22—Fe1—C17—C16 | 178.0 (3) | C31—C32—C33—C34 | −0.5 (7) |
C21—Fe1—C17—C16 | −145.8 (3) | C32—C33—C34—C29 | −1.2 (6) |
C13—Fe1—C17—C16 | 119.1 (4) | C30—C29—C34—C33 | 2.5 (6) |
C14—Fe1—C17—C16 | 80.9 (3) | P2—C29—C34—C33 | −176.9 (3) |
Symmetry code: (i) −x+3/2, −y+1/2, −z+1. |
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