Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805032034/fl6190sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805032034/fl6190Isup2.hkl |
CCDC reference: 289722
Key indicators
- Single-crystal X-ray study
- T = 110 K
- Mean (C-C) = 0.007 Å
- Disorder in solvent or counterion
- R factor = 0.033
- wR factor = 0.077
- Data-to-parameter ratio = 17.5
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.95
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10 Tmin and Tmax reported: 0.162 0.335 Tmin and Tmax expected: 0.279 0.669 RR = 1.158 Please check that your absorption correction is appropriate. 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 PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large ....... 1.13 PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 2.00 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C31 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 50.00 Perc. PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C25 PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... CT1 FE CT1 PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... CT2 FE CT2 PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CT1 CT1 FE CT2
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 1.998 Tmax scaled 0.669 Tmin scaled 0.324
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 13 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: KappaCCD Server Software (Nonius, 1997); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII (Johnson & Burnett, 1996); software used to prepare material for publication: SHELXL97 and WinGX (Farrugia, 1999).
[FePtCl2(C15H14O2P)2]·0.5CH2Cl2 | Z = 2 |
Mr = 878.77 | F(000) = 858 |
Triclinic, P1 | Dx = 1.877 Mg m−3 |
a = 10.6903 (2) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 10.7487 (3) Å | Cell parameters from 3814 reflections |
c = 14.9344 (4) Å | θ = 1–27.5° |
α = 80.926 (1)° | µ = 5.36 mm−1 |
β = 78.379 (1)° | T = 110 K |
γ = 68.302 (1)° | Plate, orange |
V = 1555.24 (7) Å3 | 0.25 × 0.25 × 0.08 mm |
Nonius KappaCCD area-detector diffractometer | 6868 independent reflections |
Radiation source: fine-focus sealed tube | 6137 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.034 |
φ scans (κ = 0) + additional ω scans | θmax = 27.6°, θmin = 2.4° |
Absorption correction: multi-scan (Blessing, 1995) | h = −13→13 |
Tmin = 0.162, Tmax = 0.335 | k = −13→13 |
8983 measured reflections | l = −19→19 |
Refinement on F2 | Primary atom site location: heavy-atom method |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.033 | Hydrogen site location: difference Fourier map |
wR(F2) = 0.077 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0367P)2 + 4.3017P] where P = (Fo2 + 2Fc2)/3 |
6868 reflections | (Δ/σ)max = 0.001 |
393 parameters | Δρmax = 1.21 e Å−3 |
3 restraints | Δρmin = −2.24 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Fe | 0.66901 (6) | 0.99426 (6) | 0.73235 (4) | 0.01098 (13) | |
Pt | 0.773495 (16) | 0.570653 (16) | 0.733488 (11) | 0.00973 (6) | |
Cl1 | 0.67129 (11) | 0.43310 (10) | 0.69361 (7) | 0.0151 (2) | |
Cl2 | 0.88802 (12) | 0.38708 (11) | 0.83033 (8) | 0.0191 (2) | |
P1 | 0.66854 (11) | 0.73839 (11) | 0.63459 (7) | 0.0098 (2) | |
P2 | 0.87406 (11) | 0.68294 (11) | 0.79143 (8) | 0.0109 (2) | |
O1 | 0.4097 (3) | 0.7832 (3) | 0.6072 (2) | 0.0140 (6) | |
O2 | 0.7506 (3) | 0.8469 (3) | 0.4636 (2) | 0.0157 (6) | |
O3 | 0.6872 (3) | 0.6869 (3) | 0.9412 (2) | 0.0150 (6) | |
O4 | 1.1201 (3) | 0.6713 (3) | 0.8162 (2) | 0.0149 (6) | |
C1 | 0.5759 (4) | 0.8963 (4) | 0.6814 (3) | 0.0119 (8) | |
C2 | 0.5230 (4) | 0.9094 (4) | 0.7774 (3) | 0.0121 (8) | |
H2 | 0.5258 | 0.8396 | 0.8233 | 0.015* | |
C3 | 0.4656 (4) | 1.0494 (5) | 0.7888 (3) | 0.0157 (9) | |
H3 | 0.4251 | 1.0867 | 0.8442 | 0.019* | |
C4 | 0.4801 (4) | 1.1225 (4) | 0.7027 (3) | 0.0159 (9) | |
H4 | 0.4509 | 1.2157 | 0.6919 | 0.019* | |
C5 | 0.5471 (4) | 1.0296 (4) | 0.6351 (3) | 0.0149 (9) | |
H5 | 0.5683 | 1.0511 | 0.5725 | 0.018* | |
C6 | 0.8473 (4) | 0.8601 (4) | 0.7630 (3) | 0.0131 (9) | |
C7 | 0.7936 (4) | 0.9588 (4) | 0.8282 (3) | 0.0155 (9) | |
H7 | 0.7709 | 0.9424 | 0.8913 | 0.019* | |
C8 | 0.7811 (5) | 1.0868 (5) | 0.7789 (3) | 0.0167 (9) | |
H8 | 0.7491 | 1.1686 | 0.8044 | 0.020* | |
C9 | 0.8260 (4) | 1.0677 (5) | 0.6848 (3) | 0.0155 (9) | |
H9 | 0.8283 | 1.1350 | 0.6377 | 0.019* | |
C10 | 0.8673 (4) | 0.9283 (4) | 0.6739 (3) | 0.0135 (9) | |
H10 | 0.9010 | 0.8887 | 0.6188 | 0.016* | |
C11 | 0.5456 (4) | 0.7184 (4) | 0.5768 (3) | 0.0130 (9) | |
C12 | 0.5606 (5) | 0.6508 (5) | 0.5050 (3) | 0.0164 (9) | |
H12 | 0.6424 | 0.5993 | 0.4723 | 0.020* | |
C13 | 0.4269 (5) | 0.6729 (5) | 0.4883 (3) | 0.0170 (9) | |
H13 | 0.4045 | 0.6385 | 0.4428 | 0.020* | |
C14 | 0.3397 (5) | 0.7532 (5) | 0.5511 (3) | 0.0168 (9) | |
C15 | 0.1884 (5) | 0.8165 (5) | 0.5687 (3) | 0.0210 (10) | |
H15A | 0.1625 | 0.9111 | 0.5502 | 0.032* | |
H15B | 0.1562 | 0.8029 | 0.6330 | 0.032* | |
H15C | 0.1490 | 0.7762 | 0.5343 | 0.032* | |
C16 | 0.7922 (4) | 0.7542 (4) | 0.5369 (3) | 0.0133 (9) | |
C17 | 0.9231 (5) | 0.6742 (5) | 0.5137 (3) | 0.0160 (9) | |
H17 | 0.9745 | 0.6035 | 0.5507 | 0.019* | |
C18 | 0.9677 (5) | 0.7183 (5) | 0.4221 (3) | 0.0177 (9) | |
H18 | 1.0539 | 0.6829 | 0.3880 | 0.021* | |
C19 | 0.8606 (5) | 0.8218 (5) | 0.3941 (3) | 0.0162 (9) | |
C20 | 0.8406 (5) | 0.9063 (5) | 0.3048 (3) | 0.0235 (11) | |
H20A | 0.9187 | 0.9323 | 0.2815 | 0.035* | |
H20B | 0.7607 | 0.9852 | 0.3141 | 0.035* | |
H20C | 0.8294 | 0.8555 | 0.2614 | 0.035* | |
C21 | 0.8227 (4) | 0.6735 (4) | 0.9131 (3) | 0.0139 (9) | |
C22 | 0.8835 (5) | 0.6608 (5) | 0.9870 (3) | 0.0193 (10) | |
H22 | 0.9736 | 0.6513 | 0.9867 | 0.023* | |
C23 | 0.7808 (5) | 0.6648 (5) | 1.0655 (3) | 0.0216 (10) | |
H23 | 0.7918 | 0.6586 | 1.1264 | 0.026* | |
C24 | 0.6653 (5) | 0.6793 (5) | 1.0354 (3) | 0.0170 (9) | |
C25 | 0.5239 (5) | 0.6905 (5) | 1.0796 (4) | 0.0270 (11) | |
H25A | 0.5176 | 0.6843 | 1.1450 | 0.041* | |
H25B | 0.5021 | 0.6188 | 1.0631 | 0.041* | |
H25C | 0.4609 | 0.7753 | 1.0589 | 0.041* | |
C26 | 1.0564 (5) | 0.6125 (4) | 0.7728 (3) | 0.0144 (9) | |
C27 | 1.1504 (4) | 0.5226 (5) | 0.7170 (3) | 0.0150 (9) | |
H27 | 1.1336 | 0.4699 | 0.6804 | 0.018* | |
C28 | 1.2812 (5) | 0.5246 (5) | 0.7257 (3) | 0.0167 (9) | |
H28 | 1.3656 | 0.4740 | 0.6953 | 0.020* | |
C29 | 1.2575 (5) | 0.6148 (5) | 0.7866 (3) | 0.0168 (9) | |
C30 | 1.3459 (5) | 0.6631 (5) | 0.8273 (4) | 0.0248 (11) | |
H30A | 1.4399 | 0.6135 | 0.8066 | 0.037* | |
H30B | 1.3272 | 0.6501 | 0.8931 | 0.037* | |
H30C | 1.3273 | 0.7570 | 0.8086 | 0.037* | |
C31 | 0.9556 (13) | 1.0880 (12) | 1.0023 (10) | 0.052 (4) | 0.50 |
H31A | 0.9148 | 1.1548 | 0.9548 | 0.063* | 0.50 |
H31B | 0.9732 | 1.1348 | 1.0461 | 0.063* | 0.50 |
Cl3 | 0.8386 (7) | 1.0130 (7) | 1.0580 (4) | 0.0551 (16) | 0.50 |
Cl4 | 1.1078 (8) | 0.9800 (11) | 0.9533 (6) | 0.094 (3) | 0.50 |
U11 | U22 | U33 | U12 | U13 | U23 | |
Fe | 0.0097 (3) | 0.0098 (3) | 0.0144 (3) | −0.0039 (2) | −0.0026 (2) | −0.0019 (2) |
Pt | 0.00994 (9) | 0.00915 (9) | 0.01106 (9) | −0.00362 (6) | −0.00293 (6) | −0.00135 (6) |
Cl1 | 0.0162 (5) | 0.0129 (5) | 0.0201 (5) | −0.0073 (4) | −0.0063 (4) | −0.0023 (4) |
Cl2 | 0.0254 (6) | 0.0119 (5) | 0.0222 (6) | −0.0066 (5) | −0.0133 (5) | 0.0046 (4) |
P1 | 0.0090 (5) | 0.0100 (5) | 0.0105 (5) | −0.0031 (4) | −0.0022 (4) | −0.0014 (4) |
P2 | 0.0107 (5) | 0.0107 (5) | 0.0126 (5) | −0.0038 (4) | −0.0038 (4) | −0.0024 (4) |
O1 | 0.0112 (15) | 0.0171 (16) | 0.0158 (16) | −0.0049 (13) | −0.0036 (12) | −0.0055 (13) |
O2 | 0.0133 (16) | 0.0163 (16) | 0.0139 (16) | −0.0027 (13) | −0.0017 (12) | 0.0025 (13) |
O3 | 0.0119 (15) | 0.0186 (16) | 0.0134 (15) | −0.0034 (13) | −0.0031 (12) | −0.0019 (13) |
O4 | 0.0093 (15) | 0.0169 (16) | 0.0219 (17) | −0.0061 (13) | −0.0037 (12) | −0.0061 (13) |
C1 | 0.012 (2) | 0.011 (2) | 0.014 (2) | −0.0036 (17) | −0.0040 (16) | −0.0031 (17) |
C2 | 0.008 (2) | 0.010 (2) | 0.018 (2) | −0.0040 (17) | −0.0003 (17) | −0.0031 (17) |
C3 | 0.011 (2) | 0.019 (2) | 0.019 (2) | −0.0054 (19) | 0.0003 (17) | −0.0089 (19) |
C4 | 0.012 (2) | 0.009 (2) | 0.025 (2) | −0.0006 (18) | −0.0023 (18) | −0.0046 (18) |
C5 | 0.012 (2) | 0.014 (2) | 0.021 (2) | −0.0036 (18) | −0.0060 (18) | −0.0022 (18) |
C6 | 0.010 (2) | 0.011 (2) | 0.020 (2) | −0.0042 (17) | −0.0054 (17) | −0.0024 (17) |
C7 | 0.014 (2) | 0.017 (2) | 0.017 (2) | −0.0059 (19) | −0.0056 (18) | −0.0024 (18) |
C8 | 0.015 (2) | 0.014 (2) | 0.026 (3) | −0.0056 (19) | −0.0086 (19) | −0.0066 (19) |
C9 | 0.012 (2) | 0.016 (2) | 0.021 (2) | −0.0084 (19) | −0.0039 (18) | 0.0011 (18) |
C10 | 0.008 (2) | 0.015 (2) | 0.018 (2) | −0.0021 (18) | −0.0025 (17) | −0.0041 (18) |
C11 | 0.010 (2) | 0.013 (2) | 0.017 (2) | −0.0041 (18) | −0.0037 (17) | −0.0017 (17) |
C12 | 0.016 (2) | 0.015 (2) | 0.018 (2) | −0.0039 (19) | −0.0035 (18) | −0.0048 (18) |
C13 | 0.024 (2) | 0.016 (2) | 0.015 (2) | −0.008 (2) | −0.0093 (19) | −0.0005 (18) |
C14 | 0.017 (2) | 0.020 (2) | 0.017 (2) | −0.011 (2) | −0.0073 (18) | 0.0047 (19) |
C15 | 0.013 (2) | 0.027 (3) | 0.025 (3) | −0.010 (2) | −0.0062 (19) | 0.001 (2) |
C16 | 0.014 (2) | 0.015 (2) | 0.012 (2) | −0.0066 (18) | −0.0019 (17) | −0.0028 (17) |
C17 | 0.016 (2) | 0.015 (2) | 0.019 (2) | −0.0072 (19) | −0.0039 (18) | 0.0001 (18) |
C18 | 0.013 (2) | 0.022 (2) | 0.018 (2) | −0.0047 (19) | 0.0017 (18) | −0.0072 (19) |
C19 | 0.016 (2) | 0.024 (2) | 0.014 (2) | −0.014 (2) | 0.0016 (17) | −0.0034 (18) |
C20 | 0.022 (3) | 0.029 (3) | 0.020 (2) | −0.011 (2) | −0.004 (2) | 0.005 (2) |
C21 | 0.013 (2) | 0.015 (2) | 0.015 (2) | −0.0051 (18) | −0.0014 (17) | −0.0040 (17) |
C22 | 0.016 (2) | 0.021 (2) | 0.022 (2) | −0.007 (2) | −0.0067 (19) | 0.001 (2) |
C23 | 0.029 (3) | 0.026 (3) | 0.011 (2) | −0.008 (2) | −0.0064 (19) | −0.0004 (19) |
C24 | 0.020 (2) | 0.016 (2) | 0.012 (2) | −0.0040 (19) | −0.0015 (18) | 0.0012 (18) |
C25 | 0.026 (3) | 0.028 (3) | 0.022 (3) | −0.007 (2) | 0.001 (2) | 0.001 (2) |
C26 | 0.016 (2) | 0.013 (2) | 0.017 (2) | −0.0067 (18) | −0.0039 (17) | −0.0020 (17) |
C27 | 0.014 (2) | 0.018 (2) | 0.014 (2) | −0.0065 (19) | −0.0024 (17) | −0.0020 (18) |
C28 | 0.009 (2) | 0.015 (2) | 0.023 (2) | −0.0035 (18) | −0.0005 (18) | 0.0001 (18) |
C29 | 0.011 (2) | 0.019 (2) | 0.020 (2) | −0.0046 (19) | −0.0038 (18) | −0.0002 (19) |
C30 | 0.019 (3) | 0.026 (3) | 0.034 (3) | −0.013 (2) | −0.005 (2) | −0.006 (2) |
C31 | 0.085 (12) | 0.024 (6) | 0.048 (8) | −0.009 (7) | −0.023 (8) | −0.008 (6) |
Cl3 | 0.097 (5) | 0.063 (3) | 0.026 (2) | −0.054 (4) | −0.003 (3) | −0.0084 (18) |
Cl4 | 0.085 (6) | 0.129 (7) | 0.055 (4) | −0.024 (4) | 0.004 (4) | −0.020 (4) |
Fe—Cg1 | 1.644 (5) | C8—H8 | 0.9300 |
Fe—Cg2 | 1.648 (5) | C9—C10 | 1.423 (6) |
Fe—C1 | 2.003 (4) | C9—H9 | 0.9300 |
Fe—C2 | 2.039 (4) | C10—H10 | 0.9300 |
Fe—C3 | 2.063 (4) | C11—C12 | 1.339 (6) |
Fe—C4 | 2.069 (5) | C12—C13 | 1.427 (6) |
Fe—C5 | 2.044 (4) | C12—H12 | 0.9300 |
Fe—C6 | 2.008 (4) | C13—C14 | 1.343 (7) |
Fe—C7 | 2.046 (4) | C13—H13 | 0.9300 |
Fe—C8 | 2.085 (4) | C14—C15 | 1.490 (6) |
Fe—C9 | 2.066 (4) | C15—H15A | 0.9600 |
Fe—C10 | 2.024 (4) | C15—H15B | 0.9600 |
Pt—P1 | 2.2412 (11) | C15—H15C | 0.9600 |
Pt—P2 | 2.2416 (10) | C16—C17 | 1.352 (6) |
Pt—Cl1 | 2.3385 (10) | C17—C18 | 1.423 (6) |
Pt—Cl2 | 2.3475 (11) | C17—H17 | 0.9300 |
P1—C1 | 1.790 (4) | C18—C19 | 1.352 (7) |
P1—C16 | 1.793 (4) | C18—H18 | 0.9300 |
P1—C11 | 1.801 (4) | C19—C20 | 1.496 (6) |
P2—C6 | 1.811 (4) | C20—H20A | 0.9600 |
P2—C21 | 1.787 (4) | C20—H20B | 0.9600 |
P2—C26 | 1.790 (5) | C20—H20C | 0.9600 |
O1—C14 | 1.371 (5) | C21—C22 | 1.355 (6) |
O1—C11 | 1.374 (5) | C22—C23 | 1.430 (7) |
O2—C19 | 1.377 (5) | C22—H22 | 0.9300 |
O2—C16 | 1.384 (5) | C23—C24 | 1.345 (7) |
O3—C24 | 1.374 (5) | C23—H23 | 0.9300 |
O3—C21 | 1.384 (5) | C24—C25 | 1.491 (7) |
O4—C29 | 1.373 (5) | C25—H25A | 0.9600 |
O4—C26 | 1.382 (5) | C25—H25B | 0.9600 |
C1—C2 | 1.440 (6) | C25—H25C | 0.9600 |
C1—C5 | 1.440 (6) | C26—C27 | 1.355 (6) |
C2—C3 | 1.423 (6) | C27—C28 | 1.439 (6) |
C2—H2 | 0.9300 | C27—H27 | 0.9300 |
C3—C4 | 1.409 (6) | C28—C29 | 1.355 (7) |
C3—H3 | 0.9300 | C28—H28 | 0.9300 |
C4—C5 | 1.424 (6) | C29—C30 | 1.492 (6) |
C4—H4 | 0.9300 | C30—H30A | 0.9600 |
C5—H5 | 0.9300 | C30—H30B | 0.9600 |
C6—C10 | 1.432 (6) | C30—H30C | 0.9600 |
C6—C7 | 1.432 (6) | C31—Cl4 | 1.709 (13) |
C7—C8 | 1.427 (6) | C31—Cl3 | 1.738 (13) |
C7—H7 | 0.9300 | C31—H31A | 0.9700 |
C8—C9 | 1.413 (7) | C31—H31B | 0.9700 |
Cg1—Fe—Cg2 | 177.4 (2) | P2—C6—Fe | 122.4 (2) |
C1—Fe—C6 | 107.74 (17) | C8—C7—C6 | 107.8 (4) |
C1—Fe—C10 | 106.96 (17) | C8—C7—Fe | 71.3 (3) |
C6—Fe—C10 | 41.59 (18) | C6—C7—Fe | 67.9 (2) |
C1—Fe—C2 | 41.72 (17) | C8—C7—H7 | 126.1 |
C6—Fe—C2 | 108.02 (17) | C6—C7—H7 | 126.1 |
C10—Fe—C2 | 135.49 (17) | Fe—C7—H7 | 126.3 |
C1—Fe—C5 | 41.69 (17) | C9—C8—C7 | 108.1 (4) |
C6—Fe—C5 | 138.13 (18) | C9—C8—Fe | 69.4 (2) |
C10—Fe—C5 | 109.86 (18) | C7—C8—Fe | 68.3 (2) |
C2—Fe—C5 | 69.48 (18) | C9—C8—H8 | 126.0 |
C1—Fe—C7 | 138.59 (18) | C7—C8—H8 | 126.0 |
C6—Fe—C7 | 41.35 (17) | Fe—C8—H8 | 127.9 |
C10—Fe—C7 | 69.29 (18) | C8—C9—C10 | 108.8 (4) |
C2—Fe—C7 | 111.27 (18) | C8—C9—Fe | 70.8 (2) |
C5—Fe—C7 | 179.11 (19) | C10—C9—Fe | 68.1 (2) |
C1—Fe—C3 | 69.02 (17) | C8—C9—H9 | 125.6 |
C6—Fe—C3 | 137.63 (19) | C10—C9—H9 | 125.6 |
C10—Fe—C3 | 175.81 (17) | Fe—C9—H9 | 127.1 |
C2—Fe—C3 | 40.61 (17) | C9—C10—C6 | 107.6 (4) |
C5—Fe—C3 | 68.10 (18) | C9—C10—Fe | 71.2 (2) |
C7—Fe—C3 | 112.77 (18) | C6—C10—Fe | 68.6 (2) |
C1—Fe—C9 | 136.43 (18) | C9—C10—H10 | 126.2 |
C6—Fe—C9 | 68.83 (18) | C6—C10—H10 | 126.2 |
C10—Fe—C9 | 40.71 (17) | Fe—C10—H10 | 125.5 |
C2—Fe—C9 | 176.19 (18) | C12—C11—O1 | 110.2 (4) |
C5—Fe—C9 | 111.24 (18) | C12—C11—P1 | 131.7 (4) |
C7—Fe—C9 | 67.98 (18) | O1—C11—P1 | 118.1 (3) |
C3—Fe—C9 | 143.20 (18) | C11—C12—C13 | 106.8 (4) |
C1—Fe—C4 | 69.08 (17) | C11—C12—H12 | 126.6 |
C6—Fe—C4 | 176.26 (17) | C13—C12—H12 | 126.6 |
C10—Fe—C4 | 140.58 (18) | C14—C13—C12 | 106.5 (4) |
C2—Fe—C4 | 68.33 (17) | C14—C13—H13 | 126.8 |
C5—Fe—C4 | 40.51 (18) | C12—C13—H13 | 126.8 |
C7—Fe—C4 | 140.08 (18) | C13—C14—O1 | 110.3 (4) |
C3—Fe—C4 | 39.87 (18) | C13—C14—C15 | 133.3 (4) |
C9—Fe—C4 | 114.78 (18) | O1—C14—C15 | 116.4 (4) |
C1—Fe—C8 | 175.20 (18) | C14—C15—H15A | 109.5 |
C6—Fe—C8 | 68.68 (17) | C14—C15—H15B | 109.5 |
C10—Fe—C8 | 68.25 (18) | H15A—C15—H15B | 109.5 |
C2—Fe—C8 | 141.77 (18) | C14—C15—H15C | 109.5 |
C5—Fe—C8 | 139.21 (18) | H15A—C15—H15C | 109.5 |
C7—Fe—C8 | 40.41 (17) | H15B—C15—H15C | 109.5 |
C3—Fe—C8 | 115.76 (18) | C17—C16—O2 | 109.5 (4) |
C9—Fe—C8 | 39.80 (18) | C17—C16—P1 | 130.2 (4) |
C4—Fe—C8 | 114.61 (18) | O2—C16—P1 | 119.4 (3) |
P1—Pt—P2 | 97.35 (4) | C16—C17—C18 | 107.2 (4) |
P1—Pt—Cl1 | 90.44 (4) | C16—C17—H17 | 126.4 |
P2—Pt—Cl1 | 171.47 (4) | C18—C17—H17 | 126.4 |
P1—Pt—Cl2 | 176.78 (4) | C19—C18—C17 | 106.7 (4) |
P2—Pt—Cl2 | 84.76 (4) | C19—C18—H18 | 126.6 |
Cl1—Pt—Cl2 | 87.61 (4) | C17—C18—H18 | 126.6 |
C1—P1—C16 | 111.4 (2) | C18—C19—O2 | 110.1 (4) |
C1—P1—C11 | 102.2 (2) | C18—C19—C20 | 132.7 (4) |
C16—P1—C11 | 99.2 (2) | O2—C19—C20 | 117.2 (4) |
C1—P1—Pt | 115.30 (15) | C19—C20—H20A | 109.5 |
C16—P1—Pt | 108.43 (15) | C19—C20—H20B | 109.5 |
C11—P1—Pt | 119.15 (15) | H20A—C20—H20B | 109.5 |
C21—P2—C26 | 106.1 (2) | C19—C20—H20C | 109.5 |
C21—P2—C6 | 102.3 (2) | H20A—C20—H20C | 109.5 |
C26—P2—C6 | 100.9 (2) | H20B—C20—H20C | 109.5 |
C21—P2—Pt | 107.49 (14) | C22—C21—O3 | 110.0 (4) |
C26—P2—Pt | 113.99 (15) | C22—C21—P2 | 135.5 (4) |
C6—P2—Pt | 124.35 (14) | O3—C21—P2 | 114.5 (3) |
C14—O1—C11 | 106.2 (3) | C21—C22—C23 | 106.0 (4) |
C19—O2—C16 | 106.5 (3) | C21—C22—H22 | 127.0 |
C24—O3—C21 | 106.7 (3) | C23—C22—H22 | 127.0 |
C29—O4—C26 | 106.8 (3) | C24—C23—C22 | 107.7 (4) |
C2—C1—C5 | 107.8 (4) | C24—C23—H23 | 126.1 |
C2—C1—P1 | 123.7 (3) | C22—C23—H23 | 126.1 |
C5—C1—P1 | 128.4 (3) | C23—C24—O3 | 109.6 (4) |
C2—C1—Fe | 70.5 (2) | C23—C24—C25 | 135.4 (4) |
C5—C1—Fe | 70.7 (2) | O3—C24—C25 | 115.0 (4) |
P1—C1—Fe | 121.6 (2) | C24—C25—H25A | 109.5 |
C3—C2—C1 | 107.2 (4) | C24—C25—H25B | 109.5 |
C3—C2—Fe | 70.6 (2) | H25A—C25—H25B | 109.5 |
C1—C2—Fe | 67.8 (2) | C24—C25—H25C | 109.5 |
C3—C2—H2 | 126.4 | H25A—C25—H25C | 109.5 |
C1—C2—H2 | 126.4 | H25B—C25—H25C | 109.5 |
Fe—C2—H2 | 126.7 | C27—C26—O4 | 110.0 (4) |
C4—C3—C2 | 109.1 (4) | C27—C26—P2 | 134.6 (3) |
C4—C3—Fe | 70.3 (3) | O4—C26—P2 | 115.0 (3) |
C2—C3—Fe | 68.8 (2) | C26—C27—C28 | 106.5 (4) |
C4—C3—H3 | 125.5 | C26—C27—H27 | 126.7 |
C2—C3—H3 | 125.5 | C28—C27—H27 | 126.7 |
Fe—C3—H3 | 127.0 | C29—C28—C27 | 106.6 (4) |
C3—C4—C5 | 108.5 (4) | C29—C28—H28 | 126.7 |
C3—C4—Fe | 69.8 (3) | C27—C28—H28 | 126.7 |
C5—C4—Fe | 68.8 (2) | C28—C29—O4 | 110.2 (4) |
C3—C4—H4 | 125.7 | C28—C29—C30 | 134.5 (4) |
C5—C4—H4 | 125.7 | O4—C29—C30 | 115.3 (4) |
Fe—C4—H4 | 127.2 | C29—C30—H30A | 109.5 |
C4—C5—C1 | 107.5 (4) | C29—C30—H30B | 109.5 |
C4—C5—Fe | 70.7 (3) | H30A—C30—H30B | 109.5 |
C1—C5—Fe | 67.6 (2) | C29—C30—H30C | 109.5 |
C4—C5—H5 | 126.3 | H30A—C30—H30C | 109.5 |
C1—C5—H5 | 126.3 | H30B—C30—H30C | 109.5 |
Fe—C5—H5 | 126.9 | Cl4—C31—Cl3 | 115.1 (8) |
C10—C6—C7 | 107.8 (4) | Cl4—C31—H31A | 108.5 |
C10—C6—P2 | 127.6 (3) | Cl3—C31—H31A | 108.5 |
C7—C6—P2 | 124.5 (3) | Cl4—C31—H31B | 108.5 |
C10—C6—Fe | 69.8 (2) | Cl3—C31—H31B | 108.5 |
C7—C6—Fe | 70.8 (2) | H31A—C31—H31B | 107.5 |