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The title compound, [PtFe(C6F6S)2(C17H14P)2], was obtained from the metathesis reaction of [Pt(dppf)Cl2] and [Pb(SC6F5)2] in CH2Cl2 [dppf is 1,1′-bis­(diphenyl­phosphino)ferrocene]. Two independent mol­ecules are found in the asymmetric unit. The PtII centers have a distorted square-planar environment with the P atoms of the dppf ligand coordinating to the metal centers in a bidentate fashion. The coordination of each Pt atom is completed by two –SC6F5 ligands in an anti conformation. The crystal packing exhibits inter­esting C—H...π stacking.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806054730/wm2078sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806054730/wm2078Isup2.hkl
Contains datablock I

CCDC reference: 636827

Key indicators

  • Single-crystal X-ray study
  • T = 291 K
  • R factor = 0.037
  • wR factor = 0.082
  • Data-to-parameter ratio = 13.0

checkCIF/PLATON results

No syntax errors found


No errors found in this datablock

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

[1,1'-bis(diphenylphosphino)ferrocene-κ2P,P']bis(2,3,4,5,6- pentafluorobenzenethiolato)platinum(II) top
Crystal data top
[PtFe(C6F6S)2(C17H14P)2]F(000) = 4480
Mr = 1147.68Dx = 1.848 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 8741 reflections
a = 19.7466 (9) Åθ = 2.3–30.9°
b = 22.0846 (10) ŵ = 4.00 mm1
c = 19.7669 (9) ÅT = 291 K
β = 106.807 (1)°Prism, yellow
V = 8252.0 (7) Å30.20 × 0.16 × 0.08 mm
Z = 8
Data collection top
Bruker SMART APEX CCD
diffractometer
14535 independent reflections
Radiation source: fine-focus sealed tube11545 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.066
Detector resolution: 0.84 pixels mm-1θmax = 25.0°, θmin = 1.4°
ω scansh = 2323
Absorption correction: multi-scan
(SADABS; Sheldrick, 1998)
k = 2626
Tmin = 0.502, Tmax = 0.740l = 2323
67222 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.037Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.082H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.0356P)2]
where P = (Fo2 + 2Fc2)/3
14535 reflections(Δ/σ)max = 0.003
1117 parametersΔρmax = 1.07 e Å3
0 restraintsΔρmin = 0.45 e Å3
Special details top

Experimental. 1H NMR (300 MHz, CDCl3): δ 7.95–7.25 (m, Ph, 20H), 4.43 (s, Cp, 4H), 4.27 (s, Cp, 4H); 31P{1H} NMR (121 MHz, CDCl3): δ 28.16 (s, P); 19F{1H} NMR (282 MHz, CDCl3): δ -135.08 (d, 3JFo-Fm = 22.01 Hz, o-F), -164.56 (t, 3JFm-Fp= 22.01 Hz, p-F), -166.87 (m, 4JFo-Fp= 4.79, m-F).

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pt10.727145 (10)0.134195 (9)0.480976 (11)0.03303 (6)
Fe10.17062 (4)0.45798 (3)0.53480 (4)0.03746 (18)
S10.82216 (8)0.13869 (6)0.58713 (8)0.0459 (4)
S20.76364 (8)0.21938 (7)0.42946 (9)0.0562 (4)
P10.70551 (7)0.04332 (6)0.52712 (7)0.0351 (3)
P20.62987 (7)0.13562 (6)0.38442 (7)0.0318 (3)
F10.95768 (17)0.19786 (15)0.64602 (19)0.0641 (10)
F20.98644 (19)0.31254 (17)0.6858 (2)0.0768 (11)
F30.8806 (2)0.39180 (16)0.6803 (2)0.0762 (11)
F40.7450 (2)0.35487 (18)0.6313 (2)0.0824 (12)
F50.71367 (18)0.24037 (16)0.5907 (2)0.0724 (11)
F60.8906 (2)0.13468 (16)0.4465 (2)0.0783 (12)
F71.0275 (2)0.1649 (2)0.4951 (3)0.1034 (16)
F81.0667 (2)0.2801 (2)0.5350 (2)0.1072 (16)
F90.9658 (2)0.36527 (19)0.5256 (2)0.0929 (14)
F100.82986 (19)0.33607 (15)0.4825 (2)0.0694 (10)
C10.6453 (3)0.0121 (2)0.4743 (3)0.0388 (13)
C20.5697 (3)0.0089 (3)0.4527 (3)0.0452 (14)
H20.54260.02270.46200.054*
C30.5435 (3)0.0621 (3)0.4147 (3)0.0540 (16)
H30.49600.07150.39470.065*
C40.6004 (4)0.0981 (3)0.4121 (3)0.0569 (17)
H40.59730.13550.38980.068*
C50.6637 (3)0.0683 (2)0.4488 (3)0.0487 (15)
H50.70940.08280.45520.058*
C60.6155 (3)0.0680 (2)0.3313 (3)0.0346 (12)
C70.6712 (3)0.0305 (2)0.3224 (3)0.0432 (14)
H70.71940.03730.34190.052*
C80.6407 (3)0.0184 (3)0.2792 (3)0.0515 (16)
H80.66540.04960.26530.062*
C90.5674 (3)0.0127 (3)0.2602 (3)0.0533 (16)
H90.53490.03960.23230.064*
C100.5510 (3)0.0409 (2)0.2904 (3)0.0402 (13)
H100.50580.05620.28480.048*
C110.7905 (3)0.0040 (2)0.5516 (3)0.0372 (12)
C120.8186 (3)0.0249 (2)0.6149 (3)0.0506 (15)
H120.79220.02770.64680.061*
C130.8855 (3)0.0500 (3)0.6319 (3)0.0603 (18)
H130.90380.06860.67560.072*
C140.9250 (3)0.0480 (3)0.5857 (3)0.0542 (16)
H140.96960.06560.59710.065*
C150.8977 (3)0.0196 (3)0.5223 (3)0.0507 (15)
H150.92410.01780.49020.061*
C160.8312 (3)0.0065 (3)0.5053 (3)0.0479 (15)
H160.81370.02610.46210.057*
C170.6757 (3)0.0412 (2)0.6065 (3)0.0414 (13)
C180.6745 (3)0.0918 (3)0.6460 (3)0.0515 (15)
H180.68700.12930.63190.062*
C190.6541 (3)0.0863 (4)0.7087 (3)0.0648 (18)
H190.65280.12050.73580.078*
C200.6365 (3)0.0318 (4)0.7293 (3)0.0650 (19)
H200.62290.02880.77050.078*
C210.6381 (3)0.0191 (3)0.6908 (4)0.0668 (19)
H210.62750.05680.70620.080*
C220.6560 (3)0.0137 (3)0.6282 (3)0.0577 (17)
H220.65460.04780.60030.069*
C230.5504 (3)0.1524 (2)0.4103 (3)0.0348 (12)
C240.5558 (3)0.1655 (2)0.4791 (3)0.0463 (14)
H240.59930.16190.51320.056*
C250.4969 (4)0.1842 (3)0.4987 (4)0.0628 (18)
H250.50120.19320.54570.075*
C260.4324 (4)0.1895 (3)0.4484 (4)0.0671 (19)
H260.39270.20150.46120.080*
C270.4273 (3)0.1767 (3)0.3794 (4)0.0649 (18)
H270.38360.18010.34540.078*
C280.4849 (3)0.1592 (3)0.3596 (3)0.0511 (15)
H280.48050.15170.31220.061*
C290.6270 (3)0.1936 (2)0.3185 (3)0.0382 (13)
C300.6488 (3)0.1809 (3)0.2598 (3)0.0445 (14)
H300.66460.14210.25390.053*
C310.6475 (3)0.2245 (3)0.2097 (3)0.0561 (17)
H310.66240.21520.17040.067*
C320.6238 (3)0.2824 (3)0.2182 (4)0.0620 (18)
H320.62250.31210.18440.074*
C330.6024 (3)0.2957 (3)0.2762 (4)0.0588 (18)
H330.58720.33470.28190.071*
C340.6031 (3)0.2520 (2)0.3271 (3)0.0471 (15)
H340.58780.26140.36620.056*
C350.8349 (3)0.2138 (2)0.6154 (3)0.0420 (13)
C360.9030 (3)0.2347 (3)0.6428 (3)0.0468 (14)
C370.9195 (3)0.2935 (3)0.6645 (3)0.0502 (15)
C380.8659 (4)0.3338 (3)0.6601 (3)0.0527 (16)
C390.7967 (3)0.3147 (3)0.6354 (3)0.0563 (16)
C400.7826 (3)0.2565 (3)0.6142 (3)0.0513 (15)
C410.8544 (3)0.2333 (2)0.4645 (3)0.0412 (13)
C420.9070 (3)0.1916 (3)0.4672 (3)0.0516 (15)
C430.9781 (3)0.2071 (3)0.4921 (4)0.0612 (18)
C440.9976 (3)0.2645 (4)0.5115 (4)0.0639 (19)
C450.9474 (4)0.3077 (3)0.5066 (3)0.0635 (19)
C460.8774 (3)0.2920 (3)0.4846 (3)0.0453 (14)
Pt20.372198 (10)0.386613 (9)0.626326 (10)0.03166 (6)
Fe20.60739 (4)0.01482 (3)0.36821 (4)0.03734 (18)
S30.43158 (8)0.29486 (6)0.61708 (8)0.0477 (4)
S40.42426 (8)0.38830 (6)0.75055 (7)0.0454 (4)
P30.33145 (7)0.48088 (6)0.63851 (7)0.0312 (3)
P40.30609 (7)0.37185 (6)0.51091 (7)0.0351 (3)
F110.51871 (18)0.41557 (17)0.6348 (2)0.0701 (10)
F120.6527 (2)0.4312 (2)0.7056 (2)0.0908 (13)
F130.7336 (2)0.3366 (2)0.7709 (2)0.1076 (16)
F140.6760 (3)0.2251 (2)0.7611 (3)0.140 (2)
F150.5391 (2)0.20736 (18)0.6918 (2)0.0968 (15)
F160.54859 (19)0.31576 (17)0.83277 (19)0.0707 (10)
F170.5510 (2)0.20056 (19)0.8729 (3)0.1062 (16)
F180.4303 (3)0.13497 (17)0.8452 (2)0.1042 (16)
F190.3063 (2)0.1864 (2)0.7745 (3)0.1036 (15)
F200.30232 (19)0.30206 (18)0.7328 (2)0.0773 (12)
C470.2378 (3)0.4822 (2)0.6272 (3)0.0333 (12)
C480.1862 (3)0.5290 (2)0.6027 (3)0.0446 (14)
H480.19540.56890.59290.054*
C490.1191 (3)0.5037 (3)0.5960 (3)0.0503 (15)
H490.07620.52410.58040.060*
C500.1275 (3)0.4422 (3)0.6170 (3)0.0484 (15)
H500.09140.41550.61790.058*
C510.2003 (3)0.4288 (2)0.6361 (3)0.0390 (13)
H510.22060.39150.65200.047*
C520.2240 (3)0.4138 (2)0.4766 (3)0.0370 (12)
C530.2132 (3)0.4755 (3)0.4548 (3)0.0438 (14)
H530.24870.50340.45570.053*
C540.1398 (3)0.4871 (3)0.4316 (3)0.0537 (16)
H540.11870.52390.41470.064*
C550.1040 (3)0.4333 (3)0.4386 (3)0.0535 (16)
H550.05530.42860.42750.064*
C560.1549 (3)0.3878 (3)0.4652 (3)0.0437 (14)
H560.14530.34780.47390.052*
C570.3525 (3)0.5353 (2)0.5789 (3)0.0344 (12)
C580.3309 (3)0.5952 (2)0.5775 (3)0.0419 (13)
H580.30550.60800.60780.050*
C590.3469 (3)0.6363 (3)0.5313 (3)0.0520 (16)
H590.33110.67610.52980.062*
C600.3859 (3)0.6180 (3)0.4881 (3)0.0609 (18)
H600.39720.64570.45760.073*
C610.4087 (3)0.5589 (3)0.4892 (3)0.0600 (17)
H610.43450.54660.45900.072*
C620.3931 (3)0.5178 (3)0.5355 (3)0.0452 (14)
H620.40980.47830.53740.054*
C630.3723 (3)0.5174 (2)0.7231 (3)0.0359 (12)
C640.3355 (3)0.5285 (3)0.7711 (3)0.0532 (16)
H640.28790.51810.76030.064*
C650.3688 (4)0.5550 (3)0.8352 (3)0.068 (2)
H650.34350.56290.86720.082*
C660.4384 (4)0.5696 (3)0.8519 (3)0.068 (2)
H660.46050.58650.89590.081*
C670.4763 (4)0.5599 (2)0.8053 (3)0.0573 (17)
H670.52370.57100.81690.069*
C680.4440 (3)0.5332 (2)0.7401 (3)0.0430 (14)
H680.46970.52590.70820.052*
C690.2716 (3)0.2947 (2)0.5038 (3)0.0396 (13)
C700.2529 (3)0.2624 (3)0.4418 (3)0.0570 (17)
H700.26340.27830.40240.068*
C710.2190 (4)0.2070 (3)0.4363 (4)0.072 (2)
H710.20610.18650.39340.086*
C720.2046 (3)0.1825 (3)0.4938 (4)0.067 (2)
H720.18250.14500.49050.080*
C730.2226 (3)0.2135 (3)0.5566 (4)0.0641 (18)
H730.21150.19750.59560.077*
C740.2574 (3)0.2688 (3)0.5622 (3)0.0538 (16)
H740.27120.28870.60550.065*
C750.3463 (3)0.3776 (2)0.4390 (3)0.0428 (14)
C760.4149 (3)0.3611 (3)0.4478 (3)0.0655 (19)
H760.44280.35010.49260.079*
C770.4440 (4)0.3602 (4)0.3925 (4)0.087 (3)
H770.49050.34740.40000.105*
C780.4053 (4)0.3780 (4)0.3268 (4)0.086 (3)
H780.42520.37730.28950.103*
C790.3374 (5)0.3967 (4)0.3159 (4)0.105 (3)
H790.31080.40960.27140.126*
C800.3080 (4)0.3965 (4)0.3721 (4)0.089 (3)
H800.26150.40930.36450.107*
C810.5210 (3)0.3104 (3)0.6611 (3)0.0522 (16)
C820.5548 (3)0.3660 (3)0.6671 (3)0.0581 (17)
C830.6243 (4)0.3752 (4)0.7023 (4)0.0647 (19)
C840.6647 (4)0.3278 (4)0.7349 (4)0.077 (2)
C850.6359 (4)0.2720 (4)0.7300 (4)0.083 (2)
C860.5651 (4)0.2639 (3)0.6940 (4)0.071 (2)
C870.4257 (3)0.3122 (2)0.7783 (3)0.0405 (13)
C880.4871 (3)0.2845 (3)0.8161 (3)0.0486 (15)
C890.4894 (4)0.2248 (3)0.8372 (3)0.0645 (19)
C900.4286 (5)0.1923 (3)0.8236 (4)0.067 (2)
C910.3672 (4)0.2187 (3)0.7882 (3)0.0642 (19)
C920.3653 (3)0.2775 (3)0.7672 (3)0.0509 (15)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pt10.03010 (12)0.03124 (12)0.03399 (12)0.00058 (8)0.00332 (9)0.00300 (9)
Fe10.0321 (4)0.0388 (4)0.0403 (5)0.0021 (3)0.0086 (4)0.0013 (3)
S10.0418 (9)0.0395 (8)0.0452 (9)0.0017 (6)0.0053 (7)0.0016 (6)
S20.0408 (9)0.0515 (9)0.0626 (11)0.0106 (7)0.0068 (8)0.0232 (8)
P10.0374 (8)0.0344 (8)0.0320 (8)0.0001 (6)0.0077 (6)0.0039 (6)
P20.0314 (7)0.0309 (7)0.0309 (7)0.0021 (6)0.0054 (6)0.0009 (6)
F10.041 (2)0.064 (2)0.076 (3)0.0068 (17)0.0013 (18)0.0134 (19)
F20.050 (2)0.076 (3)0.089 (3)0.0130 (19)0.004 (2)0.020 (2)
F30.094 (3)0.052 (2)0.072 (3)0.001 (2)0.009 (2)0.0172 (19)
F40.075 (3)0.081 (3)0.087 (3)0.030 (2)0.017 (2)0.012 (2)
F50.039 (2)0.074 (3)0.098 (3)0.0009 (18)0.011 (2)0.006 (2)
F60.102 (3)0.046 (2)0.096 (3)0.000 (2)0.044 (3)0.002 (2)
F70.075 (3)0.121 (4)0.129 (4)0.039 (3)0.052 (3)0.043 (3)
F80.045 (3)0.169 (5)0.096 (3)0.027 (3)0.002 (2)0.032 (3)
F90.094 (3)0.081 (3)0.094 (3)0.046 (2)0.012 (3)0.011 (2)
F100.070 (3)0.045 (2)0.091 (3)0.0004 (18)0.020 (2)0.0072 (19)
C10.040 (3)0.036 (3)0.040 (3)0.002 (2)0.011 (3)0.001 (2)
C20.041 (3)0.051 (4)0.046 (4)0.007 (3)0.017 (3)0.009 (3)
C30.052 (4)0.053 (4)0.051 (4)0.020 (3)0.005 (3)0.008 (3)
C40.079 (5)0.034 (3)0.053 (4)0.013 (3)0.012 (4)0.003 (3)
C50.053 (4)0.034 (3)0.059 (4)0.002 (3)0.016 (3)0.008 (3)
C60.036 (3)0.032 (3)0.036 (3)0.003 (2)0.010 (2)0.004 (2)
C70.047 (4)0.044 (3)0.044 (3)0.003 (3)0.020 (3)0.000 (3)
C80.066 (5)0.046 (4)0.050 (4)0.000 (3)0.030 (3)0.009 (3)
C90.065 (4)0.053 (4)0.039 (4)0.013 (3)0.009 (3)0.011 (3)
C100.039 (3)0.045 (3)0.031 (3)0.004 (2)0.002 (2)0.001 (2)
C110.035 (3)0.034 (3)0.038 (3)0.001 (2)0.004 (3)0.003 (2)
C120.050 (4)0.049 (4)0.054 (4)0.006 (3)0.016 (3)0.013 (3)
C130.052 (4)0.058 (4)0.059 (4)0.016 (3)0.002 (3)0.014 (3)
C140.042 (4)0.049 (4)0.063 (4)0.012 (3)0.001 (3)0.005 (3)
C150.041 (4)0.053 (4)0.059 (4)0.005 (3)0.015 (3)0.008 (3)
C160.045 (4)0.052 (4)0.040 (3)0.004 (3)0.002 (3)0.002 (3)
C170.038 (3)0.049 (4)0.035 (3)0.002 (3)0.008 (3)0.004 (3)
C180.048 (4)0.059 (4)0.043 (4)0.006 (3)0.006 (3)0.002 (3)
C190.061 (4)0.089 (5)0.044 (4)0.001 (4)0.015 (3)0.013 (4)
C200.060 (5)0.094 (6)0.047 (4)0.002 (4)0.026 (3)0.007 (4)
C210.065 (5)0.077 (5)0.065 (5)0.007 (4)0.029 (4)0.019 (4)
C220.066 (4)0.059 (4)0.051 (4)0.007 (3)0.020 (3)0.010 (3)
C230.033 (3)0.037 (3)0.035 (3)0.003 (2)0.011 (2)0.002 (2)
C240.048 (4)0.046 (3)0.045 (4)0.009 (3)0.013 (3)0.002 (3)
C250.073 (5)0.073 (5)0.055 (4)0.013 (4)0.040 (4)0.004 (3)
C260.054 (5)0.064 (5)0.091 (6)0.017 (3)0.034 (4)0.001 (4)
C270.041 (4)0.079 (5)0.070 (5)0.008 (3)0.010 (3)0.008 (4)
C280.042 (4)0.057 (4)0.051 (4)0.005 (3)0.008 (3)0.007 (3)
C290.031 (3)0.036 (3)0.042 (3)0.004 (2)0.002 (3)0.007 (2)
C300.041 (3)0.049 (3)0.045 (4)0.009 (3)0.015 (3)0.011 (3)
C310.049 (4)0.073 (5)0.049 (4)0.012 (3)0.018 (3)0.023 (3)
C320.063 (4)0.058 (4)0.063 (5)0.004 (3)0.015 (4)0.030 (3)
C330.058 (4)0.034 (3)0.071 (5)0.003 (3)0.004 (4)0.009 (3)
C340.054 (4)0.041 (3)0.040 (3)0.006 (3)0.002 (3)0.002 (3)
C350.043 (4)0.044 (3)0.034 (3)0.002 (3)0.004 (3)0.004 (2)
C360.042 (4)0.052 (4)0.042 (3)0.006 (3)0.005 (3)0.003 (3)
C370.042 (4)0.059 (4)0.038 (3)0.006 (3)0.005 (3)0.012 (3)
C380.066 (5)0.043 (4)0.044 (4)0.002 (3)0.008 (3)0.007 (3)
C390.057 (4)0.058 (4)0.052 (4)0.016 (3)0.013 (3)0.000 (3)
C400.036 (4)0.060 (4)0.051 (4)0.000 (3)0.000 (3)0.002 (3)
C410.036 (3)0.045 (3)0.039 (3)0.007 (3)0.006 (3)0.010 (3)
C420.061 (4)0.049 (4)0.048 (4)0.001 (3)0.022 (3)0.006 (3)
C430.048 (4)0.072 (5)0.070 (5)0.019 (4)0.028 (4)0.020 (4)
C440.036 (4)0.090 (6)0.060 (4)0.015 (4)0.005 (3)0.016 (4)
C450.066 (5)0.060 (4)0.058 (4)0.029 (4)0.009 (4)0.003 (3)
C460.041 (4)0.044 (4)0.051 (4)0.004 (3)0.013 (3)0.010 (3)
Pt20.03272 (12)0.03065 (11)0.02959 (12)0.00211 (8)0.00581 (9)0.00047 (8)
Fe20.0384 (5)0.0340 (4)0.0393 (5)0.0037 (3)0.0108 (4)0.0007 (3)
S30.0498 (9)0.0456 (9)0.0431 (9)0.0155 (7)0.0061 (7)0.0049 (7)
S40.0623 (10)0.0345 (8)0.0332 (8)0.0027 (7)0.0041 (7)0.0010 (6)
P30.0327 (8)0.0292 (7)0.0310 (7)0.0012 (5)0.0079 (6)0.0003 (5)
P40.0326 (8)0.0397 (8)0.0316 (8)0.0002 (6)0.0072 (6)0.0038 (6)
F110.055 (2)0.079 (3)0.080 (3)0.002 (2)0.025 (2)0.023 (2)
F120.066 (3)0.123 (4)0.087 (3)0.021 (3)0.028 (2)0.005 (3)
F130.058 (3)0.175 (5)0.074 (3)0.013 (3)0.007 (2)0.019 (3)
F140.117 (4)0.124 (4)0.126 (4)0.072 (3)0.050 (3)0.020 (3)
F150.109 (4)0.062 (3)0.092 (3)0.034 (2)0.014 (3)0.011 (2)
F160.055 (2)0.077 (3)0.065 (2)0.005 (2)0.0085 (19)0.010 (2)
F170.099 (4)0.079 (3)0.116 (4)0.038 (3)0.009 (3)0.034 (3)
F180.169 (5)0.041 (2)0.099 (3)0.003 (3)0.035 (3)0.017 (2)
F190.099 (4)0.089 (3)0.116 (4)0.043 (3)0.021 (3)0.018 (3)
F200.046 (2)0.095 (3)0.088 (3)0.001 (2)0.015 (2)0.029 (2)
C470.034 (3)0.033 (3)0.034 (3)0.001 (2)0.011 (2)0.002 (2)
C480.049 (4)0.041 (3)0.043 (3)0.004 (3)0.013 (3)0.003 (3)
C490.034 (3)0.063 (4)0.057 (4)0.009 (3)0.018 (3)0.012 (3)
C500.042 (4)0.057 (4)0.052 (4)0.007 (3)0.023 (3)0.005 (3)
C510.040 (3)0.040 (3)0.038 (3)0.003 (2)0.014 (3)0.001 (2)
C520.033 (3)0.043 (3)0.031 (3)0.004 (2)0.003 (2)0.002 (2)
C530.044 (4)0.052 (4)0.034 (3)0.001 (3)0.009 (3)0.006 (3)
C540.057 (4)0.063 (4)0.033 (3)0.016 (3)0.001 (3)0.011 (3)
C550.041 (4)0.065 (4)0.048 (4)0.004 (3)0.001 (3)0.002 (3)
C560.037 (3)0.045 (3)0.044 (3)0.001 (3)0.003 (3)0.009 (3)
C570.035 (3)0.036 (3)0.030 (3)0.001 (2)0.005 (2)0.002 (2)
C580.038 (3)0.042 (3)0.045 (3)0.003 (2)0.010 (3)0.001 (3)
C590.056 (4)0.041 (3)0.053 (4)0.002 (3)0.006 (3)0.013 (3)
C600.062 (4)0.068 (5)0.056 (4)0.011 (3)0.022 (4)0.024 (3)
C610.066 (5)0.068 (5)0.058 (4)0.008 (4)0.035 (4)0.000 (3)
C620.037 (3)0.047 (4)0.050 (4)0.005 (3)0.010 (3)0.002 (3)
C630.044 (3)0.024 (3)0.035 (3)0.002 (2)0.003 (3)0.007 (2)
C640.066 (4)0.054 (4)0.041 (4)0.002 (3)0.019 (3)0.003 (3)
C650.094 (6)0.066 (5)0.042 (4)0.004 (4)0.015 (4)0.009 (3)
C660.102 (6)0.041 (4)0.042 (4)0.002 (4)0.007 (4)0.004 (3)
C670.071 (5)0.032 (3)0.059 (4)0.002 (3)0.003 (4)0.001 (3)
C680.052 (4)0.032 (3)0.042 (3)0.006 (3)0.010 (3)0.003 (2)
C690.030 (3)0.038 (3)0.048 (4)0.004 (2)0.007 (3)0.008 (3)
C700.058 (4)0.054 (4)0.050 (4)0.005 (3)0.002 (3)0.018 (3)
C710.056 (5)0.070 (5)0.076 (5)0.001 (4)0.004 (4)0.033 (4)
C720.044 (4)0.040 (4)0.108 (6)0.003 (3)0.010 (4)0.012 (4)
C730.068 (5)0.038 (4)0.086 (5)0.001 (3)0.023 (4)0.001 (3)
C740.058 (4)0.042 (4)0.059 (4)0.009 (3)0.014 (3)0.005 (3)
C750.037 (3)0.053 (4)0.038 (3)0.006 (3)0.009 (3)0.007 (3)
C760.038 (4)0.117 (6)0.041 (4)0.012 (4)0.010 (3)0.005 (4)
C770.042 (4)0.162 (8)0.066 (5)0.003 (5)0.027 (4)0.001 (5)
C780.064 (5)0.152 (8)0.050 (5)0.012 (5)0.030 (4)0.013 (5)
C790.086 (6)0.188 (10)0.047 (5)0.033 (6)0.031 (4)0.020 (5)
C800.054 (5)0.164 (8)0.051 (5)0.027 (5)0.017 (4)0.013 (5)
C810.054 (4)0.060 (4)0.040 (4)0.020 (3)0.010 (3)0.005 (3)
C820.053 (4)0.073 (5)0.052 (4)0.014 (4)0.022 (3)0.003 (3)
C830.052 (4)0.092 (6)0.053 (4)0.006 (4)0.021 (4)0.001 (4)
C840.042 (4)0.123 (7)0.054 (5)0.018 (5)0.004 (3)0.019 (5)
C850.071 (6)0.090 (6)0.069 (5)0.039 (5)0.010 (4)0.010 (4)
C860.081 (5)0.053 (4)0.065 (5)0.024 (4)0.001 (4)0.016 (4)
C870.051 (4)0.037 (3)0.032 (3)0.005 (3)0.009 (3)0.001 (2)
C880.054 (4)0.047 (4)0.037 (3)0.003 (3)0.002 (3)0.005 (3)
C890.069 (5)0.055 (4)0.054 (4)0.019 (4)0.006 (4)0.015 (3)
C900.108 (7)0.035 (4)0.053 (4)0.004 (4)0.016 (4)0.010 (3)
C910.087 (6)0.049 (4)0.054 (4)0.022 (4)0.016 (4)0.001 (3)
C920.056 (4)0.055 (4)0.041 (4)0.001 (3)0.012 (3)0.006 (3)
Geometric parameters (Å, º) top
Pt1—P22.2833 (13)C36—C371.377 (8)
Pt1—P12.2951 (13)C37—C381.366 (8)
Pt1—S22.3495 (14)C38—C391.378 (8)
Pt1—S12.3783 (14)C39—C401.354 (8)
Fe1—C471.995 (5)C41—C421.378 (8)
Fe1—C522.021 (5)C41—C461.392 (7)
Fe1—C512.023 (5)C42—C431.391 (9)
Fe1—C482.029 (5)C43—C441.348 (9)
Fe1—C532.031 (5)C44—C451.359 (9)
Fe1—C562.035 (5)C45—C461.367 (8)
Fe1—C552.048 (6)Pt2—P32.2696 (13)
Fe1—C542.055 (5)Pt2—P42.3006 (14)
Fe1—C492.057 (5)Pt2—S42.3724 (14)
Fe1—C502.070 (5)Pt2—S32.3744 (14)
S1—C351.744 (5)S3—C811.762 (6)
S2—C411.752 (5)S4—C871.766 (5)
P1—C11.812 (5)P3—C471.798 (5)
P1—C111.826 (5)P3—C571.814 (5)
P1—C171.830 (5)P3—C631.822 (5)
P2—C61.800 (5)P4—C521.819 (5)
P2—C291.816 (5)P4—C751.823 (6)
P2—C231.823 (5)P4—C691.826 (5)
F1—C361.338 (6)F11—C821.361 (7)
F2—C371.334 (6)F12—C831.352 (8)
F3—C381.348 (6)F13—C841.355 (7)
F4—C391.338 (6)F14—C851.339 (8)
F5—C401.352 (6)F15—C861.346 (8)
F6—C421.332 (6)F16—C881.351 (6)
F7—C431.338 (7)F17—C891.330 (7)
F8—C441.352 (7)F18—C901.333 (7)
F9—C451.345 (7)F19—C911.356 (7)
F10—C461.345 (6)F20—C921.347 (7)
C1—C51.426 (7)C47—C511.429 (7)
C1—C21.430 (7)C47—C481.434 (7)
C1—Fe22.014 (5)C48—C491.409 (7)
C2—C31.408 (8)C48—H480.9300
C2—Fe22.019 (5)C49—C501.414 (8)
C2—H20.9300C49—H490.9300
C3—C41.389 (8)C50—C511.409 (7)
C3—Fe22.048 (6)C50—H500.9300
C3—H30.9300C51—H510.9300
C4—C51.414 (8)C52—C531.426 (7)
C4—Fe22.054 (6)C52—C561.437 (7)
C4—H40.9300C53—C541.412 (7)
C5—Fe22.036 (6)C53—H530.9300
C5—H50.9300C54—C551.409 (8)
C6—C71.428 (7)C54—H540.9300
C6—C101.428 (7)C55—C561.410 (7)
C6—Fe21.993 (5)C55—H550.9300
C7—C81.400 (7)C56—H560.9300
C7—Fe22.017 (5)C57—C581.387 (7)
C7—H70.9300C57—C621.388 (7)
C8—C91.392 (8)C58—C591.385 (7)
C8—Fe22.051 (6)C58—H580.9300
C8—H80.9300C59—C601.366 (8)
C9—C101.406 (7)C59—H590.9300
C9—Fe22.052 (6)C60—C611.379 (8)
C9—H90.9300C60—H600.9300
C10—Fe22.032 (5)C61—C621.385 (8)
C10—H100.9300C61—H610.9300
C11—C121.371 (7)C62—H620.9300
C11—C161.383 (7)C63—C641.374 (7)
C12—C131.381 (8)C63—C681.400 (7)
C12—H120.9300C64—C651.378 (8)
C13—C141.364 (8)C64—H640.9300
C13—H130.9300C65—C661.355 (9)
C14—C151.364 (8)C65—H650.9300
C14—H140.9300C66—C671.363 (9)
C15—C161.383 (7)C66—H660.9300
C15—H150.9300C67—C681.393 (8)
C16—H160.9300C67—H670.9300
C17—C181.367 (7)C68—H680.9300
C17—C221.378 (7)C69—C701.373 (7)
C18—C191.415 (8)C69—C741.386 (8)
C18—H180.9300C70—C711.385 (9)
C19—C201.349 (9)C70—H700.9300
C19—H190.9300C71—C721.361 (10)
C20—C211.364 (9)C71—H710.9300
C20—H200.9300C72—C731.372 (9)
C21—C221.386 (8)C72—H720.9300
C21—H210.9300C73—C741.389 (8)
C22—H220.9300C73—H730.9300
C23—C241.364 (7)C74—H740.9300
C23—C281.397 (7)C75—C761.365 (8)
C24—C251.390 (8)C75—C801.383 (8)
C24—H240.9300C76—C771.374 (8)
C25—C261.376 (9)C76—H760.9300
C25—H250.9300C77—C781.360 (10)
C26—C271.367 (9)C77—H770.9300
C26—H260.9300C78—C791.361 (10)
C27—C281.362 (8)C78—H780.9300
C27—H270.9300C79—C801.394 (9)
C28—H280.9300C79—H790.9300
C29—C301.379 (7)C80—H800.9300
C29—C341.400 (7)C81—C861.381 (8)
C30—C311.376 (7)C81—C821.386 (9)
C30—H300.9300C82—C831.362 (9)
C31—C321.389 (8)C83—C841.360 (10)
C31—H310.9300C84—C851.348 (11)
C32—C331.363 (9)C85—C861.386 (10)
C32—H320.9300C87—C881.372 (7)
C33—C341.391 (8)C87—C921.380 (8)
C33—H330.9300C88—C891.380 (8)
C34—H340.9300C89—C901.356 (9)
C35—C361.376 (8)C90—C911.345 (9)
C35—C401.396 (8)C91—C921.360 (8)
P2—Pt1—P197.82 (5)P3—Pt2—P496.79 (5)
P2—Pt1—S285.18 (5)P3—Pt2—S486.36 (5)
P1—Pt1—S2171.16 (6)P4—Pt2—S4168.65 (5)
P2—Pt1—S1174.45 (5)P3—Pt2—S3171.50 (5)
P1—Pt1—S182.87 (5)P4—Pt2—S387.36 (5)
S2—Pt1—S194.95 (5)S4—Pt2—S390.99 (5)
C47—Fe1—C52109.4 (2)C6—Fe2—C1108.0 (2)
C47—Fe1—C5141.65 (19)C6—Fe2—C741.7 (2)
C52—Fe1—C51111.1 (2)C1—Fe2—C7111.1 (2)
C47—Fe1—C4841.7 (2)C6—Fe2—C2109.3 (2)
C52—Fe1—C48138.2 (2)C1—Fe2—C241.5 (2)
C51—Fe1—C4869.3 (2)C7—Fe2—C2140.0 (2)
C47—Fe1—C53110.3 (2)C6—Fe2—C1041.55 (19)
C52—Fe1—C5341.2 (2)C1—Fe2—C10136.6 (2)
C51—Fe1—C53139.9 (2)C7—Fe2—C1068.7 (2)
C48—Fe1—C53110.5 (2)C2—Fe2—C10109.5 (2)
C47—Fe1—C56138.9 (2)C6—Fe2—C5137.3 (2)
C52—Fe1—C5641.5 (2)C1—Fe2—C541.2 (2)
C51—Fe1—C56111.8 (2)C7—Fe2—C5111.6 (2)
C48—Fe1—C56178.9 (2)C2—Fe2—C568.8 (2)
C53—Fe1—C5668.6 (2)C10—Fe2—C5177.9 (2)
C47—Fe1—C55178.3 (2)C6—Fe2—C3139.2 (2)
C52—Fe1—C5569.1 (2)C1—Fe2—C368.9 (2)
C51—Fe1—C55139.4 (2)C7—Fe2—C3179.1 (2)
C48—Fe1—C55138.9 (2)C2—Fe2—C340.5 (2)
C53—Fe1—C5568.1 (2)C10—Fe2—C3112.0 (2)
C56—Fe1—C5540.4 (2)C5—Fe2—C367.7 (2)
C47—Fe1—C54138.8 (2)C6—Fe2—C869.0 (2)
C52—Fe1—C5468.9 (2)C1—Fe2—C8141.3 (2)
C51—Fe1—C54179.6 (3)C7—Fe2—C840.3 (2)
C48—Fe1—C54111.0 (2)C2—Fe2—C8176.8 (2)
C53—Fe1—C5440.4 (2)C10—Fe2—C867.4 (2)
C56—Fe1—C5467.9 (2)C5—Fe2—C8114.3 (2)
C55—Fe1—C5440.2 (2)C3—Fe2—C8139.2 (2)
C47—Fe1—C4968.9 (2)C6—Fe2—C969.2 (2)
C52—Fe1—C49178.3 (2)C1—Fe2—C9176.8 (2)
C51—Fe1—C4967.9 (2)C7—Fe2—C967.9 (2)
C48—Fe1—C4940.3 (2)C2—Fe2—C9137.4 (2)
C53—Fe1—C49138.7 (2)C10—Fe2—C940.3 (2)
C56—Fe1—C49140.0 (2)C5—Fe2—C9141.9 (2)
C55—Fe1—C49112.5 (2)C3—Fe2—C9112.2 (2)
C54—Fe1—C49112.1 (2)C8—Fe2—C939.7 (2)
C47—Fe1—C5069.0 (2)C6—Fe2—C4176.6 (2)
C52—Fe1—C50140.0 (2)C1—Fe2—C468.7 (2)
C51—Fe1—C5040.2 (2)C7—Fe2—C4139.5 (3)
C48—Fe1—C5068.2 (2)C2—Fe2—C467.8 (2)
C53—Fe1—C50178.7 (2)C10—Fe2—C4140.6 (2)
C56—Fe1—C50112.7 (2)C5—Fe2—C440.4 (2)
C55—Fe1—C50112.6 (2)C3—Fe2—C439.6 (2)
C54—Fe1—C50139.5 (2)C8—Fe2—C4113.9 (2)
C49—Fe1—C5040.1 (2)C9—Fe2—C4114.0 (2)
C35—S1—Pt1109.06 (19)C81—S3—Pt2104.0 (2)
C41—S2—Pt1112.09 (18)C87—S4—Pt2105.65 (18)
C1—P1—C11103.4 (2)C47—P3—C57109.3 (2)
C1—P1—C1799.0 (2)C47—P3—C63105.9 (2)
C11—P1—C17105.0 (2)C57—P3—C63100.3 (2)
C1—P1—Pt1121.89 (17)C47—P3—Pt2112.64 (16)
C11—P1—Pt1104.99 (17)C57—P3—Pt2112.61 (17)
C17—P1—Pt1120.44 (18)C63—P3—Pt2115.30 (16)
C6—P2—C29101.5 (2)C52—P4—C75102.5 (2)
C6—P2—C23109.2 (2)C52—P4—C69100.0 (2)
C29—P2—C23101.9 (2)C75—P4—C69104.1 (2)
C6—P2—Pt1115.39 (17)C52—P4—Pt2119.09 (17)
C29—P2—Pt1116.98 (17)C75—P4—Pt2120.89 (18)
C23—P2—Pt1110.64 (17)C69—P4—Pt2107.48 (19)
C5—C1—C2106.7 (5)C51—C47—C48107.1 (5)
C5—C1—P1126.8 (4)C51—C47—P3121.5 (4)
C2—C1—P1126.5 (4)C48—C47—P3131.1 (4)
C5—C1—Fe270.2 (3)C51—C47—Fe170.2 (3)
C2—C1—Fe269.4 (3)C48—C47—Fe170.4 (3)
P1—C1—Fe2127.2 (3)P3—C47—Fe1119.8 (3)
C3—C2—C1108.1 (5)C49—C48—C47107.5 (5)
C3—C2—Fe270.9 (3)C49—C48—Fe170.9 (3)
C1—C2—Fe269.1 (3)C47—C48—Fe167.9 (3)
C3—C2—H2126.0C49—C48—H48126.2
C1—C2—H2126.0C47—C48—H48126.2
Fe2—C2—H2125.7Fe1—C48—H48126.6
C4—C3—C2108.7 (5)C48—C49—C50109.1 (5)
C4—C3—Fe270.5 (3)C48—C49—Fe168.8 (3)
C2—C3—Fe268.6 (3)C50—C49—Fe170.4 (3)
C4—C3—H3125.6C48—C49—H49125.5
C2—C3—H3125.6C50—C49—H49125.5
Fe2—C3—H3126.8Fe1—C49—H49126.9
C3—C4—C5108.6 (5)C51—C50—C49107.7 (5)
C3—C4—Fe270.0 (3)C51—C50—Fe168.1 (3)
C5—C4—Fe269.1 (3)C49—C50—Fe169.5 (3)
C3—C4—H4125.7C51—C50—H50126.1
C5—C4—H4125.7C49—C50—H50126.1
Fe2—C4—H4126.8Fe1—C50—H50127.9
C4—C5—C1108.0 (5)C50—C51—C47108.5 (5)
C4—C5—Fe270.5 (3)C50—C51—Fe171.7 (3)
C1—C5—Fe268.6 (3)C47—C51—Fe168.1 (3)
C4—C5—H5126.0C50—C51—H51125.7
C1—C5—H5126.0C47—C51—H51125.7
Fe2—C5—H5126.5Fe1—C51—H51126.0
C7—C6—C10106.3 (5)C53—C52—C56106.4 (5)
C7—C6—P2123.8 (4)C53—C52—P4129.6 (4)
C10—C6—P2130.0 (4)C56—C52—P4124.0 (4)
C7—C6—Fe270.1 (3)C53—C52—Fe169.8 (3)
C10—C6—Fe270.7 (3)C56—C52—Fe169.8 (3)
P2—C6—Fe2124.3 (3)P4—C52—Fe1126.1 (3)
C8—C7—C6108.2 (5)C54—C53—C52108.7 (5)
C8—C7—Fe271.2 (3)C54—C53—Fe170.7 (3)
C6—C7—Fe268.2 (3)C52—C53—Fe169.0 (3)
C8—C7—H7125.9C54—C53—H53125.6
C6—C7—H7125.9C52—C53—H53125.6
Fe2—C7—H7126.3Fe1—C53—H53126.2
C9—C8—C7109.0 (5)C55—C54—C53108.1 (5)
C9—C8—Fe270.2 (3)C55—C54—Fe169.7 (3)
C7—C8—Fe268.6 (3)C53—C54—Fe168.9 (3)
C9—C8—H8125.5C55—C54—H54125.9
C7—C8—H8125.5C53—C54—H54125.9
Fe2—C8—H8127.3Fe1—C54—H54127.1
C8—C9—C10108.1 (5)C54—C55—C56108.3 (5)
C8—C9—Fe270.1 (3)C54—C55—Fe170.2 (3)
C10—C9—Fe269.1 (3)C56—C55—Fe169.3 (3)
C8—C9—H9125.9C54—C55—H55125.8
C10—C9—H9125.9C56—C55—H55125.8
Fe2—C9—H9126.4Fe1—C55—H55126.2
C9—C10—C6108.4 (5)C55—C56—C52108.4 (5)
C9—C10—Fe270.6 (3)C55—C56—Fe170.3 (3)
C6—C10—Fe267.7 (3)C52—C56—Fe168.7 (3)
C9—C10—H10125.8C55—C56—H56125.8
C6—C10—H10125.8C52—C56—H56125.8
Fe2—C10—H10127.4Fe1—C56—H56126.7
C12—C11—C16117.6 (5)C58—C57—C62118.8 (5)
C12—C11—P1124.2 (4)C58—C57—P3121.3 (4)
C16—C11—P1118.1 (4)C62—C57—P3119.9 (4)
C11—C12—C13121.1 (6)C59—C58—C57120.7 (5)
C11—C12—H12119.5C59—C58—H58119.7
C13—C12—H12119.5C57—C58—H58119.7
C14—C13—C12121.0 (6)C60—C59—C58119.7 (6)
C14—C13—H13119.5C60—C59—H59120.2
C12—C13—H13119.5C58—C59—H59120.2
C13—C14—C15118.7 (6)C59—C60—C61120.7 (6)
C13—C14—H14120.6C59—C60—H60119.7
C15—C14—H14120.6C61—C60—H60119.7
C14—C15—C16120.6 (6)C60—C61—C62119.8 (6)
C14—C15—H15119.7C60—C61—H61120.1
C16—C15—H15119.7C62—C61—H61120.1
C15—C16—C11121.0 (5)C61—C62—C57120.3 (5)
C15—C16—H16119.5C61—C62—H62119.8
C11—C16—H16119.5C57—C62—H62119.8
C18—C17—C22119.2 (5)C64—C63—C68119.3 (5)
C18—C17—P1122.1 (4)C64—C63—P3122.1 (4)
C22—C17—P1118.6 (4)C68—C63—P3118.6 (4)
C17—C18—C19119.1 (6)C63—C64—C65120.2 (6)
C17—C18—H18120.4C63—C64—H64119.9
C19—C18—H18120.4C65—C64—H64119.9
C20—C19—C18120.3 (6)C66—C65—C64120.4 (7)
C20—C19—H19119.9C66—C65—H65119.8
C18—C19—H19119.9C64—C65—H65119.8
C19—C20—C21121.1 (6)C65—C66—C67121.0 (6)
C19—C20—H20119.4C65—C66—H66119.5
C21—C20—H20119.4C67—C66—H66119.5
C20—C21—C22118.7 (6)C66—C67—C68119.9 (6)
C20—C21—H21120.6C66—C67—H67120.1
C22—C21—H21120.6C68—C67—H67120.1
C17—C22—C21121.4 (6)C67—C68—C63119.2 (6)
C17—C22—H22119.3C67—C68—H68120.4
C21—C22—H22119.3C63—C68—H68120.4
C24—C23—C28118.7 (5)C70—C69—C74117.6 (5)
C24—C23—P2119.9 (4)C70—C69—P4123.4 (5)
C28—C23—P2121.0 (4)C74—C69—P4118.8 (4)
C23—C24—C25120.8 (6)C69—C70—C71121.8 (6)
C23—C24—H24119.6C69—C70—H70119.1
C25—C24—H24119.6C71—C70—H70119.1
C26—C25—C24119.8 (6)C72—C71—C70119.9 (6)
C26—C25—H25120.1C72—C71—H71120.0
C24—C25—H25120.1C70—C71—H71120.0
C27—C26—C25119.3 (6)C71—C72—C73119.7 (6)
C27—C26—H26120.4C71—C72—H72120.2
C25—C26—H26120.4C73—C72—H72120.2
C28—C27—C26121.3 (6)C72—C73—C74120.2 (7)
C28—C27—H27119.4C72—C73—H73119.9
C26—C27—H27119.4C74—C73—H73119.9
C27—C28—C23120.1 (6)C69—C74—C73120.7 (6)
C27—C28—H28120.0C69—C74—H74119.6
C23—C28—H28120.0C73—C74—H74119.6
C30—C29—C34119.2 (5)C76—C75—C80116.9 (6)
C30—C29—P2120.5 (4)C76—C75—P4121.4 (5)
C34—C29—P2120.3 (4)C80—C75—P4121.7 (5)
C31—C30—C29121.2 (5)C75—C76—C77122.0 (6)
C31—C30—H30119.4C75—C76—H76119.0
C29—C30—H30119.4C77—C76—H76119.0
C30—C31—C32119.6 (6)C78—C77—C76120.4 (7)
C30—C31—H31120.2C78—C77—H77119.8
C32—C31—H31120.2C76—C77—H77119.8
C33—C32—C31119.9 (6)C77—C78—C79119.7 (7)
C33—C32—H32120.1C77—C78—H78120.2
C31—C32—H32120.1C79—C78—H78120.2
C32—C33—C34121.2 (6)C78—C79—C80119.4 (7)
C32—C33—H33119.4C78—C79—H79120.3
C34—C33—H33119.4C80—C79—H79120.3
C33—C34—C29119.0 (6)C75—C80—C79121.6 (7)
C33—C34—H34120.5C75—C80—H80119.2
C29—C34—H34120.5C79—C80—H80119.2
C36—C35—C40114.4 (5)C86—C81—C82113.3 (6)
C36—C35—S1118.7 (4)C86—C81—S3119.5 (6)
C40—C35—S1126.9 (5)C82—C81—S3127.2 (5)
F1—C36—C35119.8 (5)F11—C82—C83115.7 (6)
F1—C36—C37116.4 (5)F11—C82—C81119.9 (6)
C35—C36—C37123.7 (5)C83—C82—C81124.4 (6)
F2—C37—C38119.6 (5)F12—C83—C84120.3 (7)
F2—C37—C36121.2 (5)F12—C83—C82120.2 (7)
C38—C37—C36119.0 (6)C84—C83—C82119.5 (7)
F3—C38—C37120.2 (6)C85—C84—F13120.5 (8)
F3—C38—C39120.2 (6)C85—C84—C83119.6 (7)
C37—C38—C39119.6 (6)F13—C84—C83119.9 (8)
F4—C39—C40121.7 (6)F14—C85—C84119.5 (8)
F4—C39—C38118.7 (6)F14—C85—C86120.8 (8)
C40—C39—C38119.6 (6)C84—C85—C86119.7 (7)
F5—C40—C39116.9 (5)F15—C86—C81119.5 (7)
F5—C40—C35119.6 (5)F15—C86—C85117.0 (6)
C39—C40—C35123.5 (6)C81—C86—C85123.5 (7)
C42—C41—C46115.6 (5)C88—C87—C92115.2 (5)
C42—C41—S2124.8 (5)C88—C87—S4121.7 (5)
C46—C41—S2119.2 (4)C92—C87—S4123.0 (4)
F6—C42—C41120.4 (6)F16—C88—C87119.7 (5)
F6—C42—C43118.3 (6)F16—C88—C89117.8 (6)
C41—C42—C43121.4 (6)C87—C88—C89122.5 (6)
F7—C43—C44120.0 (7)F17—C89—C90120.8 (6)
F7—C43—C42119.4 (7)F17—C89—C88119.3 (7)
C44—C43—C42120.7 (6)C90—C89—C88119.8 (6)
C43—C44—F8121.0 (7)F18—C90—C91120.9 (7)
C43—C44—C45119.8 (6)F18—C90—C89120.0 (7)
F8—C44—C45119.2 (7)C91—C90—C89119.1 (6)
F9—C45—C44120.7 (6)C90—C91—F19119.3 (6)
F9—C45—C46119.7 (7)C90—C91—C92120.9 (6)
C44—C45—C46119.6 (6)F19—C91—C92119.8 (7)
F10—C46—C45117.3 (5)F20—C92—C91118.6 (6)
F10—C46—C41119.8 (5)F20—C92—C87119.0 (5)
C45—C46—C41122.9 (6)C91—C92—C87122.4 (6)
P1—Pt1—S1—C35145.2 (2)P3—Pt2—S4—C87149.9 (2)
S2—Pt1—S1—C3543.4 (2)P4—Pt2—S4—C8743.3 (3)
P2—Pt1—S2—C41161.8 (2)S3—Pt2—S4—C8738.2 (2)
S1—Pt1—S2—C4123.8 (2)P4—Pt2—P3—C4761.68 (18)
P2—Pt1—P1—C118.5 (2)S4—Pt2—P3—C47107.37 (18)
S1—Pt1—P1—C1167.0 (2)P4—Pt2—P3—C5762.44 (18)
P2—Pt1—P1—C11135.23 (18)S4—Pt2—P3—C57128.51 (18)
S1—Pt1—P1—C1150.33 (18)P4—Pt2—P3—C63176.66 (19)
P2—Pt1—P1—C17106.8 (2)S4—Pt2—P3—C6314.3 (2)
S1—Pt1—P1—C1767.6 (2)P3—Pt2—P4—C5224.4 (2)
P1—Pt1—P2—C650.60 (19)S4—Pt2—P4—C5281.2 (3)
S2—Pt1—P2—C6121.03 (19)S3—Pt2—P4—C52163.0 (2)
P1—Pt1—P2—C29169.9 (2)P3—Pt2—P4—C75103.9 (2)
S2—Pt1—P2—C291.7 (2)S4—Pt2—P4—C75150.5 (3)
P1—Pt1—P2—C2374.00 (18)S3—Pt2—P4—C7568.6 (2)
S2—Pt1—P2—C23114.37 (18)P3—Pt2—P4—C69137.03 (18)
C11—P1—C1—C59.7 (5)S4—Pt2—P4—C6931.4 (3)
C17—P1—C1—C5117.6 (5)S3—Pt2—P4—C6950.42 (18)
Pt1—P1—C1—C5107.8 (5)C57—P3—C47—C51147.5 (4)
C11—P1—C1—C2167.6 (5)C63—P3—C47—C51105.3 (4)
C17—P1—C1—C259.7 (5)Pt2—P3—C47—C5121.5 (5)
Pt1—P1—C1—C274.9 (5)C57—P3—C47—C4825.6 (6)
C11—P1—C1—Fe2101.7 (4)C63—P3—C47—C4881.6 (5)
C17—P1—C1—Fe2150.4 (3)Pt2—P3—C47—C48151.6 (4)
Pt1—P1—C1—Fe215.8 (4)C57—P3—C47—Fe163.6 (3)
C5—C1—C2—C30.2 (6)C63—P3—C47—Fe1170.8 (3)
P1—C1—C2—C3177.9 (4)Pt2—P3—C47—Fe162.3 (3)
Fe2—C1—C2—C360.4 (4)C52—Fe1—C47—C51100.2 (3)
C5—C1—C2—Fe260.6 (4)C48—Fe1—C47—C51117.4 (4)
P1—C1—C2—Fe2121.7 (4)C53—Fe1—C47—C51144.2 (3)
C1—C2—C3—C40.1 (6)C56—Fe1—C47—C5163.8 (4)
Fe2—C2—C3—C459.2 (4)C54—Fe1—C47—C51179.9 (3)
C1—C2—C3—Fe259.3 (4)C49—Fe1—C47—C5180.1 (3)
C2—C3—C4—C50.3 (7)C50—Fe1—C47—C5137.0 (3)
Fe2—C3—C4—C558.4 (4)C52—Fe1—C47—C48142.4 (3)
C2—C3—C4—Fe258.1 (4)C51—Fe1—C47—C48117.4 (4)
C3—C4—C5—C10.4 (7)C53—Fe1—C47—C4898.4 (3)
Fe2—C4—C5—C158.5 (4)C56—Fe1—C47—C48178.8 (3)
C3—C4—C5—Fe259.0 (4)C54—Fe1—C47—C4862.5 (4)
C2—C1—C5—C40.4 (6)C49—Fe1—C47—C4837.3 (3)
P1—C1—C5—C4178.1 (4)C50—Fe1—C47—C4880.4 (3)
Fe2—C1—C5—C459.7 (4)C52—Fe1—C47—P315.4 (3)
C2—C1—C5—Fe260.1 (4)C51—Fe1—C47—P3115.7 (4)
P1—C1—C5—Fe2122.2 (4)C48—Fe1—C47—P3126.9 (4)
C29—P2—C6—C795.3 (5)C53—Fe1—C47—P328.5 (3)
C23—P2—C6—C7157.6 (4)C56—Fe1—C47—P351.8 (5)
Pt1—P2—C6—C732.3 (5)C54—Fe1—C47—P364.4 (4)
C29—P2—C6—C1084.1 (5)C49—Fe1—C47—P3164.3 (4)
C23—P2—C6—C1023.0 (5)C50—Fe1—C47—P3152.7 (4)
Pt1—P2—C6—C10148.3 (4)C51—C47—C48—C490.9 (6)
C29—P2—C6—Fe2177.0 (3)P3—C47—C48—C49172.9 (4)
C23—P2—C6—Fe269.9 (4)Fe1—C47—C48—C4960.0 (4)
Pt1—P2—C6—Fe255.4 (3)C51—C47—C48—Fe161.0 (3)
C10—C6—C7—C81.6 (6)P3—C47—C48—Fe1112.9 (5)
P2—C6—C7—C8178.8 (4)C47—Fe1—C48—C49119.0 (5)
Fe2—C6—C7—C860.2 (4)C52—Fe1—C48—C49178.8 (3)
C10—C6—C7—Fe261.8 (3)C51—Fe1—C48—C4979.9 (4)
P2—C6—C7—Fe2118.6 (4)C53—Fe1—C48—C49143.1 (4)
C6—C7—C8—C90.3 (6)C55—Fe1—C48—C4963.3 (5)
Fe2—C7—C8—C958.7 (4)C54—Fe1—C48—C4999.7 (4)
C6—C7—C8—Fe258.4 (4)C50—Fe1—C48—C4936.6 (3)
C7—C8—C9—C101.1 (7)C52—Fe1—C48—C4759.8 (4)
Fe2—C8—C9—C1058.8 (4)C51—Fe1—C48—C4739.1 (3)
C7—C8—C9—Fe257.7 (4)C53—Fe1—C48—C4797.9 (3)
C8—C9—C10—C62.2 (6)C55—Fe1—C48—C47177.7 (3)
Fe2—C9—C10—C657.3 (4)C54—Fe1—C48—C47141.2 (3)
C8—C9—C10—Fe259.5 (4)C49—Fe1—C48—C47119.0 (5)
C7—C6—C10—C92.3 (6)C50—Fe1—C48—C4782.4 (3)
P2—C6—C10—C9178.2 (4)C47—C48—C49—C500.9 (6)
Fe2—C6—C10—C959.1 (4)Fe1—C48—C49—C5059.1 (4)
C7—C6—C10—Fe261.4 (3)C47—C48—C49—Fe158.1 (4)
P2—C6—C10—Fe2119.1 (4)C47—Fe1—C49—C4838.6 (3)
C1—P1—C11—C1297.5 (5)C51—Fe1—C49—C4883.5 (4)
C17—P1—C11—C125.8 (5)C53—Fe1—C49—C4858.5 (5)
Pt1—P1—C11—C12133.7 (5)C56—Fe1—C49—C48178.4 (4)
C1—P1—C11—C1686.5 (5)C55—Fe1—C49—C48140.5 (3)
C17—P1—C11—C16170.2 (4)C54—Fe1—C49—C4896.9 (4)
Pt1—P1—C11—C1642.3 (4)C50—Fe1—C49—C48120.6 (5)
C16—C11—C12—C130.7 (9)C47—Fe1—C49—C5082.0 (4)
P1—C11—C12—C13175.3 (5)C51—Fe1—C49—C5037.1 (3)
C11—C12—C13—C141.5 (10)C48—Fe1—C49—C50120.6 (5)
C12—C13—C14—C151.1 (10)C53—Fe1—C49—C50179.2 (4)
C13—C14—C15—C160.1 (9)C56—Fe1—C49—C5060.9 (5)
C14—C15—C16—C110.7 (9)C55—Fe1—C49—C5098.8 (4)
C12—C11—C16—C150.3 (8)C54—Fe1—C49—C50142.4 (4)
P1—C11—C16—C15176.6 (4)C48—C49—C50—C510.6 (6)
C1—P1—C17—C18144.5 (5)Fe1—C49—C50—C5157.5 (4)
C11—P1—C17—C18108.9 (5)C48—C49—C50—Fe158.1 (4)
Pt1—P1—C17—C189.0 (5)C47—Fe1—C50—C5138.2 (3)
C1—P1—C17—C2237.6 (5)C52—Fe1—C50—C5157.3 (5)
C11—P1—C17—C2269.0 (5)C48—Fe1—C50—C5183.2 (3)
Pt1—P1—C17—C22173.1 (4)C56—Fe1—C50—C5197.4 (3)
C22—C17—C18—C190.9 (8)C55—Fe1—C50—C51141.3 (3)
P1—C17—C18—C19177.0 (4)C54—Fe1—C50—C51179.5 (4)
C17—C18—C19—C200.4 (9)C49—Fe1—C50—C51120.1 (5)
C18—C19—C20—C210.3 (10)C47—Fe1—C50—C4981.8 (3)
C19—C20—C21—C222.2 (10)C52—Fe1—C50—C49177.4 (3)
C18—C17—C22—C213.0 (9)C51—Fe1—C50—C49120.1 (5)
P1—C17—C22—C21175.0 (5)C48—Fe1—C50—C4936.8 (3)
C20—C21—C22—C173.6 (10)C56—Fe1—C50—C49142.5 (3)
C6—P2—C23—C24131.9 (4)C55—Fe1—C50—C4998.6 (4)
C29—P2—C23—C24121.2 (4)C54—Fe1—C50—C4960.5 (5)
Pt1—P2—C23—C243.9 (5)C49—C50—C51—C470.0 (6)
C6—P2—C23—C2855.7 (5)Fe1—C50—C51—C4758.3 (4)
C29—P2—C23—C2851.1 (5)C49—C50—C51—Fe158.3 (4)
Pt1—P2—C23—C28176.2 (4)C48—C47—C51—C500.6 (6)
C28—C23—C24—C251.1 (8)P3—C47—C51—C50174.0 (4)
P2—C23—C24—C25173.7 (5)Fe1—C47—C51—C5060.5 (4)
C23—C24—C25—C260.2 (9)C48—C47—C51—Fe161.1 (3)
C24—C25—C26—C270.7 (10)P3—C47—C51—Fe1113.5 (4)
C25—C26—C27—C280.3 (11)C47—Fe1—C51—C50119.6 (4)
C26—C27—C28—C231.6 (10)C52—Fe1—C51—C50144.5 (3)
C24—C23—C28—C272.1 (9)C48—Fe1—C51—C5080.4 (3)
P2—C23—C28—C27174.5 (5)C53—Fe1—C51—C50178.0 (4)
C6—P2—C29—C3030.6 (5)C56—Fe1—C51—C5099.8 (4)
C23—P2—C29—C30143.3 (4)C55—Fe1—C51—C5062.4 (5)
Pt1—P2—C29—C3095.9 (4)C49—Fe1—C51—C5037.0 (3)
C6—P2—C29—C34149.9 (4)C52—Fe1—C51—C4795.9 (3)
C23—P2—C29—C3437.2 (5)C48—Fe1—C51—C4739.2 (3)
Pt1—P2—C29—C3483.6 (4)C53—Fe1—C51—C4758.4 (4)
C34—C29—C30—C310.1 (8)C56—Fe1—C51—C47140.6 (3)
P2—C29—C30—C31179.4 (4)C55—Fe1—C51—C47178.0 (3)
C29—C30—C31—C320.1 (9)C49—Fe1—C51—C4782.6 (3)
C30—C31—C32—C330.4 (10)C50—Fe1—C51—C47119.6 (4)
C31—C32—C33—C340.8 (10)C75—P4—C52—C5359.6 (5)
C32—C33—C34—C290.8 (9)C69—P4—C52—C53166.6 (5)
C30—C29—C34—C330.5 (8)Pt2—P4—C52—C5376.8 (5)
P2—C29—C34—C33179.1 (4)C75—P4—C52—C56119.0 (5)
Pt1—S1—C35—C36140.1 (4)C69—P4—C52—C5612.1 (5)
Pt1—S1—C35—C4040.6 (6)Pt2—P4—C52—C56104.5 (4)
C40—C35—C36—F1179.4 (5)C75—P4—C52—Fe1152.3 (3)
S1—C35—C36—F11.2 (7)C69—P4—C52—Fe1100.7 (4)
C40—C35—C36—C373.0 (9)Pt2—P4—C52—Fe115.9 (4)
S1—C35—C36—C37177.7 (5)C47—Fe1—C52—C5398.9 (3)
F1—C36—C37—F21.5 (8)C51—Fe1—C52—C53143.4 (3)
C35—C36—C37—F2175.1 (5)C48—Fe1—C52—C5361.3 (4)
F1—C36—C37—C38177.8 (5)C56—Fe1—C52—C53117.1 (4)
C35—C36—C37—C381.2 (9)C55—Fe1—C52—C5380.2 (3)
F2—C37—C38—F33.0 (9)C54—Fe1—C52—C5337.0 (3)
C36—C37—C38—F3179.3 (5)C50—Fe1—C52—C53179.1 (4)
F2—C37—C38—C39177.4 (5)C47—Fe1—C52—C56143.9 (3)
C36—C37—C38—C391.1 (9)C51—Fe1—C52—C5699.4 (3)
F3—C38—C39—F40.6 (9)C48—Fe1—C52—C56178.5 (3)
C37—C38—C39—F4179.8 (5)C53—Fe1—C52—C56117.1 (4)
F3—C38—C39—C40179.0 (5)C55—Fe1—C52—C5636.9 (3)
C37—C38—C39—C401.4 (10)C54—Fe1—C52—C5680.1 (3)
F4—C39—C40—F51.8 (9)C50—Fe1—C52—C5663.8 (4)
C38—C39—C40—F5179.8 (5)C47—Fe1—C52—P426.0 (4)
F4—C39—C40—C35177.8 (5)C51—Fe1—C52—P418.5 (4)
C38—C39—C40—C350.6 (10)C48—Fe1—C52—P463.5 (5)
C36—C35—C40—F5177.7 (5)C53—Fe1—C52—P4124.9 (5)
S1—C35—C40—F51.5 (8)C56—Fe1—C52—P4118.0 (5)
C36—C35—C40—C392.7 (9)C55—Fe1—C52—P4154.9 (4)
S1—C35—C40—C39178.1 (5)C54—Fe1—C52—P4161.9 (4)
Pt1—S2—C41—C4254.2 (5)C50—Fe1—C52—P454.2 (5)
Pt1—S2—C41—C46133.2 (4)C56—C52—C53—C540.8 (6)
C46—C41—C42—F6177.4 (5)P4—C52—C53—C54179.6 (4)
S2—C41—C42—F64.6 (8)Fe1—C52—C53—C5459.8 (4)
C46—C41—C42—C433.3 (8)C56—C52—C53—Fe160.5 (4)
S2—C41—C42—C43176.1 (5)P4—C52—C53—Fe1120.7 (4)
F6—C42—C43—F70.7 (9)C47—Fe1—C53—C54143.4 (3)
C41—C42—C43—F7178.6 (5)C52—Fe1—C53—C54119.9 (5)
F6—C42—C43—C44177.8 (6)C51—Fe1—C53—C54179.5 (4)
C41—C42—C43—C442.9 (10)C48—Fe1—C53—C5498.8 (4)
F7—C43—C44—F80.8 (10)C56—Fe1—C53—C5480.6 (4)
C42—C43—C44—F8179.2 (6)C55—Fe1—C53—C5437.0 (3)
F7—C43—C44—C45178.3 (6)C49—Fe1—C53—C5462.7 (5)
C42—C43—C44—C450.2 (10)C47—Fe1—C53—C5296.7 (3)
C43—C44—C45—F9179.9 (6)C51—Fe1—C53—C5259.6 (5)
F8—C44—C45—F90.8 (10)C48—Fe1—C53—C52141.3 (3)
C43—C44—C45—C462.6 (10)C56—Fe1—C53—C5239.3 (3)
F8—C44—C45—C46178.3 (6)C55—Fe1—C53—C5282.9 (3)
F9—C45—C46—F100.7 (9)C54—Fe1—C53—C52119.9 (5)
C44—C45—C46—F10178.2 (6)C49—Fe1—C53—C52177.4 (3)
F9—C45—C46—C41179.6 (5)C52—C53—C54—C550.0 (6)
C44—C45—C46—C412.1 (10)Fe1—C53—C54—C5558.7 (4)
C42—C41—C46—F10178.8 (5)C52—C53—C54—Fe158.7 (4)
S2—C41—C46—F105.6 (7)C47—Fe1—C54—C55178.0 (3)
C42—C41—C46—C450.9 (9)C52—Fe1—C54—C5582.2 (4)
S2—C41—C46—C45174.1 (5)C48—Fe1—C54—C55142.7 (3)
C7—C6—Fe2—C1101.9 (3)C53—Fe1—C54—C55120.0 (5)
C10—C6—Fe2—C1141.9 (3)C56—Fe1—C54—C5537.5 (3)
P2—C6—Fe2—C116.0 (4)C49—Fe1—C54—C5599.3 (4)
C10—C6—Fe2—C7116.3 (4)C50—Fe1—C54—C5562.0 (5)
P2—C6—Fe2—C7117.9 (5)C47—Fe1—C54—C5358.0 (5)
C7—C6—Fe2—C2145.8 (3)C52—Fe1—C54—C5337.7 (3)
C10—C6—Fe2—C297.9 (3)C48—Fe1—C54—C5397.3 (4)
P2—C6—Fe2—C227.9 (4)C56—Fe1—C54—C5382.5 (4)
C7—C6—Fe2—C10116.3 (4)C55—Fe1—C54—C53120.0 (5)
P2—C6—Fe2—C10125.8 (5)C49—Fe1—C54—C53140.8 (3)
C7—C6—Fe2—C566.4 (4)C50—Fe1—C54—C53178.0 (4)
C10—C6—Fe2—C5177.3 (3)C53—C54—C55—C560.7 (7)
P2—C6—Fe2—C551.5 (5)Fe1—C54—C55—C5659.0 (4)
C7—C6—Fe2—C3179.9 (4)C53—C54—C55—Fe158.3 (4)
C10—C6—Fe2—C363.7 (4)C52—Fe1—C55—C5481.7 (4)
P2—C6—Fe2—C362.1 (5)C51—Fe1—C55—C54179.9 (3)
C7—C6—Fe2—C837.1 (3)C48—Fe1—C55—C5459.2 (5)
C10—C6—Fe2—C879.2 (3)C53—Fe1—C55—C5437.3 (3)
P2—C6—Fe2—C8155.0 (4)C56—Fe1—C55—C54119.6 (5)
C7—C6—Fe2—C979.7 (3)C49—Fe1—C55—C5498.0 (4)
C10—C6—Fe2—C936.6 (3)C50—Fe1—C55—C54141.6 (4)
P2—C6—Fe2—C9162.4 (4)C52—Fe1—C55—C5637.9 (3)
C5—C1—Fe2—C6143.4 (3)C51—Fe1—C55—C5660.6 (5)
C2—C1—Fe2—C699.1 (3)C48—Fe1—C55—C56178.8 (4)
P1—C1—Fe2—C621.7 (4)C53—Fe1—C55—C5682.3 (4)
C5—C1—Fe2—C799.1 (3)C54—Fe1—C55—C56119.6 (5)
C2—C1—Fe2—C7143.4 (3)C49—Fe1—C55—C56142.5 (4)
P1—C1—Fe2—C722.6 (4)C50—Fe1—C55—C5698.9 (4)
C5—C1—Fe2—C2117.5 (4)C54—C55—C56—C521.2 (7)
P1—C1—Fe2—C2120.8 (5)Fe1—C55—C56—C5258.3 (4)
C5—C1—Fe2—C10180.0 (3)C54—C55—C56—Fe159.5 (4)
C2—C1—Fe2—C1062.5 (4)C53—C52—C56—C551.2 (6)
P1—C1—Fe2—C1058.3 (5)P4—C52—C56—C55179.9 (4)
C2—C1—Fe2—C5117.5 (4)Fe1—C52—C56—C5559.3 (4)
P1—C1—Fe2—C5121.7 (5)C53—C52—C56—Fe160.5 (4)
C5—C1—Fe2—C379.9 (4)P4—C52—C56—Fe1120.6 (4)
C2—C1—Fe2—C337.6 (3)C47—Fe1—C56—C55177.7 (3)
P1—C1—Fe2—C3158.4 (4)C52—Fe1—C56—C55120.0 (5)
C5—C1—Fe2—C864.8 (5)C51—Fe1—C56—C55142.4 (4)
C2—C1—Fe2—C8177.7 (4)C53—Fe1—C56—C5580.9 (4)
P1—C1—Fe2—C856.9 (5)C54—Fe1—C56—C5537.3 (4)
C5—C1—Fe2—C437.3 (3)C49—Fe1—C56—C5561.2 (5)
C2—C1—Fe2—C480.2 (4)C50—Fe1—C56—C5598.8 (4)
P1—C1—Fe2—C4159.1 (4)C47—Fe1—C56—C5257.7 (5)
C8—C7—Fe2—C6119.4 (5)C51—Fe1—C56—C5297.7 (3)
C8—C7—Fe2—C1147.0 (4)C53—Fe1—C56—C5239.0 (3)
C6—C7—Fe2—C193.6 (3)C55—Fe1—C56—C52120.0 (5)
C8—C7—Fe2—C2175.1 (4)C54—Fe1—C56—C5282.7 (3)
C6—C7—Fe2—C255.7 (5)C49—Fe1—C56—C52178.9 (4)
C8—C7—Fe2—C1079.7 (4)C50—Fe1—C56—C52141.3 (3)
C6—C7—Fe2—C1039.7 (3)C47—P3—C57—C5852.8 (5)
C8—C7—Fe2—C5102.5 (4)C63—P3—C57—C5858.2 (5)
C6—C7—Fe2—C5138.1 (3)Pt2—P3—C57—C58178.7 (4)
C6—C7—Fe2—C8119.4 (5)C47—P3—C57—C62129.4 (4)
C8—C7—Fe2—C936.3 (3)C63—P3—C57—C62119.6 (4)
C6—C7—Fe2—C983.1 (3)Pt2—P3—C57—C623.5 (5)
C8—C7—Fe2—C465.4 (5)C62—C57—C58—C592.7 (8)
C6—C7—Fe2—C4175.2 (4)P3—C57—C58—C59179.5 (4)
C3—C2—Fe2—C6145.5 (4)C57—C58—C59—C601.7 (9)
C1—C2—Fe2—C695.6 (3)C58—C59—C60—C610.9 (10)
C3—C2—Fe2—C1118.9 (5)C59—C60—C61—C621.2 (10)
C3—C2—Fe2—C7178.9 (4)C60—C61—C62—C572.2 (9)
C1—C2—Fe2—C759.9 (5)C58—C57—C62—C612.9 (8)
C3—C2—Fe2—C10101.3 (4)P3—C57—C62—C61179.2 (4)
C1—C2—Fe2—C10139.7 (3)C47—P3—C63—C6413.4 (5)
C3—C2—Fe2—C580.1 (4)C57—P3—C63—C64127.0 (4)
C1—C2—Fe2—C538.8 (3)Pt2—P3—C63—C64111.8 (4)
C1—C2—Fe2—C3118.9 (5)C47—P3—C63—C68168.2 (4)
C3—C2—Fe2—C965.5 (5)C57—P3—C63—C6854.7 (4)
C1—C2—Fe2—C9175.6 (3)Pt2—P3—C63—C6866.5 (4)
C3—C2—Fe2—C436.4 (4)C68—C63—C64—C650.2 (8)
C1—C2—Fe2—C482.5 (3)P3—C63—C64—C65178.5 (5)
C9—C10—Fe2—C6120.4 (5)C63—C64—C65—C660.9 (10)
C9—C10—Fe2—C1179.2 (4)C64—C65—C66—C671.7 (10)
C6—C10—Fe2—C158.8 (4)C65—C66—C67—C681.7 (9)
C9—C10—Fe2—C780.5 (4)C66—C67—C68—C630.9 (8)
C6—C10—Fe2—C739.8 (3)C64—C63—C68—C670.2 (8)
C9—C10—Fe2—C2142.2 (4)P3—C63—C68—C67178.5 (4)
C6—C10—Fe2—C297.4 (3)C52—P4—C69—C7079.9 (5)
C9—C10—Fe2—C398.8 (4)C75—P4—C69—C7025.8 (5)
C6—C10—Fe2—C3140.8 (3)Pt2—P4—C69—C70155.1 (4)
C9—C10—Fe2—C837.0 (3)C52—P4—C69—C7494.2 (5)
C6—C10—Fe2—C883.4 (3)C75—P4—C69—C74160.1 (4)
C6—C10—Fe2—C9120.4 (5)Pt2—P4—C69—C7430.8 (5)
C9—C10—Fe2—C463.6 (5)C74—C69—C70—C712.1 (9)
C6—C10—Fe2—C4176.0 (4)P4—C69—C70—C71172.0 (5)
C4—C5—Fe2—C6176.2 (4)C69—C70—C71—C721.3 (10)
C1—C5—Fe2—C656.9 (4)C70—C71—C72—C731.1 (10)
C4—C5—Fe2—C1119.4 (5)C71—C72—C73—C741.9 (10)
C4—C5—Fe2—C7142.8 (4)C70—C69—C74—C732.8 (9)
C1—C5—Fe2—C797.9 (3)P4—C69—C74—C73171.6 (5)
C4—C5—Fe2—C280.3 (4)C72—C73—C74—C692.8 (10)
C1—C5—Fe2—C239.1 (3)C52—P4—C75—C76168.4 (5)
C4—C5—Fe2—C336.5 (4)C69—P4—C75—C7687.7 (5)
C1—C5—Fe2—C382.8 (3)Pt2—P4—C75—C7633.0 (6)
C4—C5—Fe2—C899.0 (4)C52—P4—C75—C8014.5 (6)
C1—C5—Fe2—C8141.6 (3)C69—P4—C75—C8089.4 (6)
C4—C5—Fe2—C961.5 (5)Pt2—P4—C75—C80149.9 (5)
C1—C5—Fe2—C9179.2 (4)C80—C75—C76—C773.1 (11)
C1—C5—Fe2—C4119.4 (5)P4—C75—C76—C77174.2 (6)
C4—C3—Fe2—C6175.2 (4)C75—C76—C77—C782.2 (13)
C2—C3—Fe2—C654.9 (5)C76—C77—C78—C790.0 (14)
C4—C3—Fe2—C181.8 (4)C77—C78—C79—C801.1 (14)
C2—C3—Fe2—C138.5 (3)C76—C75—C80—C791.9 (12)
C4—C3—Fe2—C2120.3 (5)P4—C75—C80—C79175.3 (7)
C4—C3—Fe2—C10145.0 (4)C78—C79—C80—C750.1 (14)
C2—C3—Fe2—C1094.7 (4)Pt2—S3—C81—C86150.8 (5)
C4—C3—Fe2—C537.3 (4)Pt2—S3—C81—C8229.6 (6)
C2—C3—Fe2—C583.0 (4)C86—C81—C82—F11177.3 (5)
C4—C3—Fe2—C864.6 (5)S3—C81—C82—F112.3 (9)
C2—C3—Fe2—C8175.1 (4)C86—C81—C82—C830.7 (9)
C4—C3—Fe2—C9101.4 (4)S3—C81—C82—C83179.7 (5)
C2—C3—Fe2—C9138.3 (4)F11—C82—C83—F122.2 (9)
C2—C3—Fe2—C4120.3 (5)C81—C82—C83—F12179.8 (6)
C9—C8—Fe2—C682.4 (4)F11—C82—C83—C84178.6 (6)
C7—C8—Fe2—C638.4 (3)C81—C82—C83—C840.5 (10)
C9—C8—Fe2—C1175.2 (4)F12—C83—C84—C85178.8 (7)
C7—C8—Fe2—C154.4 (5)C82—C83—C84—C852.0 (11)
C9—C8—Fe2—C7120.8 (5)F12—C83—C84—F130.2 (10)
C9—C8—Fe2—C1037.5 (3)C82—C83—C84—F13179.0 (6)
C7—C8—Fe2—C1083.3 (4)F13—C84—C85—F140.1 (12)
C9—C8—Fe2—C5143.9 (3)C83—C84—C85—F14178.9 (7)
C7—C8—Fe2—C595.3 (4)F13—C84—C85—C86178.9 (6)
C9—C8—Fe2—C360.4 (5)C83—C84—C85—C862.1 (12)
C7—C8—Fe2—C3178.8 (4)C82—C81—C86—F15179.5 (6)
C7—C8—Fe2—C9120.8 (5)S3—C81—C86—F150.1 (9)
C9—C8—Fe2—C499.4 (4)C82—C81—C86—C850.6 (10)
C7—C8—Fe2—C4139.8 (4)S3—C81—C86—C85179.8 (6)
C8—C9—Fe2—C681.8 (4)F14—C85—C86—F150.1 (11)
C10—C9—Fe2—C637.7 (3)C84—C85—C86—F15179.1 (7)
C8—C9—Fe2—C736.8 (3)F14—C85—C86—C81179.8 (7)
C10—C9—Fe2—C782.7 (3)C84—C85—C86—C810.8 (12)
C8—C9—Fe2—C2178.1 (4)Pt2—S4—C87—C88124.6 (4)
C10—C9—Fe2—C258.6 (5)Pt2—S4—C87—C9259.0 (5)
C8—C9—Fe2—C10119.5 (5)C92—C87—C88—F16176.8 (5)
C8—C9—Fe2—C560.4 (5)S4—C87—C88—F160.1 (8)
C10—C9—Fe2—C5179.9 (4)C92—C87—C88—C894.5 (9)
C8—C9—Fe2—C3142.2 (4)S4—C87—C88—C89178.9 (5)
C10—C9—Fe2—C398.3 (4)F16—C88—C89—F170.4 (9)
C10—C9—Fe2—C8119.5 (5)C87—C88—C89—F17179.2 (6)
C8—C9—Fe2—C499.1 (4)F16—C88—C89—C90177.8 (6)
C10—C9—Fe2—C4141.5 (4)C87—C88—C89—C903.4 (10)
C3—C4—Fe2—C182.1 (4)F17—C89—C90—F181.2 (11)
C5—C4—Fe2—C138.1 (3)C88—C89—C90—F18178.5 (6)
C3—C4—Fe2—C7179.8 (4)F17—C89—C90—C91179.1 (6)
C5—C4—Fe2—C760.0 (5)C88—C89—C90—C911.7 (11)
C3—C4—Fe2—C237.3 (4)F18—C90—C91—F190.2 (10)
C5—C4—Fe2—C282.9 (4)C89—C90—C91—F19180.0 (6)
C3—C4—Fe2—C1056.9 (5)F18—C90—C91—C92178.9 (6)
C5—C4—Fe2—C10177.1 (4)C89—C90—C91—C921.4 (11)
C3—C4—Fe2—C5120.2 (5)C90—C91—C92—F20178.9 (6)
C5—C4—Fe2—C3120.2 (5)F19—C91—C92—F200.3 (9)
C3—C4—Fe2—C8139.8 (4)C90—C91—C92—C872.7 (10)
C5—C4—Fe2—C8100.0 (4)F19—C91—C92—C87178.6 (6)
C3—C4—Fe2—C996.2 (4)C88—C87—C92—F20177.5 (5)
C5—C4—Fe2—C9143.6 (4)S4—C87—C92—F200.9 (8)
P4—Pt2—S3—C81138.8 (2)C88—C87—C92—C914.1 (9)
S4—Pt2—S3—C8152.5 (2)S4—C87—C92—C91179.3 (5)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C18—H18···F50.932.69 (1)3.61176
C19—H19···F140.932.38 (1)3.22151
C25—H25···F150.932.78 (1)3.70169
C51—H51···F200.932.75 (1)3.65163
C74—H74···F200.932.43 (1)3.31158
C56—H56···F17i0.932.54 (1)3.03113
C71—H71···F13i0.932.68 (1)3.50148
C28—H28···F2i0.932.66 (1)3.50151
C21—H21···F3ii0.932.56 (1)3.32140
C13—H13···F16ii0.932.74 (1)3.23114
C31—H31···F20iii0.932.71 (1)3.02100
C54—H54···F3iv0.932.65 (1)3.42141
C61—H61···F11iv0.932.45 (1)3.23142
C48—H48···F10iv0.932.54 (1)3.39153
C56—H56···F8v0.932.68 (1)3.46142
C66—H66···F7vi0.932.72 (1)3.58155
Symmetry codes: (i) x1/2, y+1/2, z1/2; (ii) x+3/2, y1/2, z+3/2; (iii) x+1/2, y+1/2, z1/2; (iv) x+1, y+1, z+1; (v) x1, y, z; (vi) x+3/2, y+1/2, z+3/2.
 

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