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In the crystal structure of [PtBrH(C18H15P)2]·0.5C7H8, the Pt atom has a distorted square-planar environment, with the coordination sphere comprising hydride, bromide and mutually trans tri­phenyl­phosphine ligands.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803014995/su6031sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803014995/su6031Isup2.hkl
Contains datablock I

CCDC reference: 221623

Key indicators

  • Single-crystal X-ray study
  • T = 150 K
  • Mean [sigma](C-C) = 0.006 Å
  • H-atom completeness 89%
  • Disorder in solvent or counterion
  • R factor = 0.032
  • wR factor = 0.071
  • Data-to-parameter ratio = 20.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Yellow Alert Alert Level C:
PLAT_302 Alert C Anion/Solvent Disorder ......................... 30.00 Perc. General Notes
FORMU_01 There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C39.5 H35 Br1 P2 Pt1 Atom count from the _atom_site data: C39.5 H31 Br1 P2 Pt1 CELLZ_01 From the CIF: _cell_formula_units_Z 4 From the CIF: _chemical_formula_sum C39.5 H35 Br P2 Pt TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 158.00 158.00 0.00 H 140.00 124.00 16.00 Br 4.00 4.00 0.00 P 8.00 8.00 0.00 Pt 4.00 4.00 0.00 Difference between formula and atom_site contents detected. WARNING: H atoms missing from atom site list. Is this intentional?
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
1 Alert Level C = Please check

Computing details top

Data collection: COLLECT (Nonius, 2000); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

trans-Bromohydridobis(triphenylphosphine)platinum toluene hemisolvate top
Crystal data top
[PtBrH(C18H15P)2]·0.5C7H8F(000) = 1660
Mr = 846.61Dx = 1.630 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 11.514 (2) ÅCell parameters from 55096 reflections
b = 13.447 (3) Åθ = 2.9–27.5°
c = 22.449 (5) ŵ = 5.35 mm1
β = 97.01 (3)°T = 150 K
V = 3449.8 (12) Å3Prism, colourless
Z = 40.20 × 0.20 × 0.15 mm
Data collection top
Nonius KappaCCD
diffractometer
7893 independent reflections
Radiation source: fine-focus sealed tube6645 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.083
φ and ω scans to fill Ewald sphereθmax = 27.5°, θmin = 3.0°
Absorption correction: multi-scan
(SORTAV; Blessing, 1995)
h = 1414
Tmin = 0.325, Tmax = 0.461k = 1717
55828 measured reflectionsl = 2929
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.032H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.071 w = 1/[σ2(Fo2) + (0.0246P)2 + 8.05P]
where P = (Fo2 + 2Fc2)/3
S = 1.02(Δ/σ)max = 0.001
7893 reflectionsΔρmax = 1.08 e Å3
386 parametersΔρmin = 0.97 e Å3
0 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.00126 (7)
Special details top

Experimental. The title compound was prepared by the hydrolysis of a toluene solution of trans-(Ph3P)2Pt(B(Mes)Br)Br on exposure to air. A solution containing 137 mg (0.13 mmol) of trans-(Ph3P)2Pt(B(Mes)Br)Br in ca 10 cm3 of toluene was exposed to air for a period of 9 days, at which point monitoring of the reaction mixture by 31P NMR revealed that the sole phosphorus-containing product in solution was trans-(Ph3P)2Pt(H)Br; starting material (δP 18.2 p.p.m., 1JPtP = 3469 Hz), title compound (δP 29.7 p.p.m., 1JPtP = 2986 Hz). Removal of solvent in vacuo and recrystallization from toluene/hexane (50:50) led to the isolation of the title compound as colourless crystals suitable for X-ray diffraction in yields of ca 58%. Comparison of multinuclear (1H, 13C and 31P) NMR and IR spectroscopic data with that reported previously confirmed the identity of the platinum-containing product (Carr, Shaw & Thornton-Pett, 1985). The identity of the boron-containing product was confirmed as (MesBO)3 by comparison of the multinuclear (1H, 13C and 11B) NMR data of the colourless material isolated from the supernatent solution with that reported in the literature (Anulewicz-Ostrowska, R., Luliński, S., Serwatowski, J. & Suwińska, K. (2000). Inorg. Chem. 39, 5763–5767.).

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. The H atom, H99 attached to Pt1 centres was located from difference Fourier syntheses and refined isotropically with no restraints. Phenyl hydrogen atoms were placed in idealized positions [C—H 0.95 Å] and refined using a riding model with Uiso(H) = 1.2Ueq(C). A disordered molecule of toluene was located in the crystal lattice and found to reside on a 2-fold axis (0.5 molecule/asymmetric unit). The disorder was successfully modelled and the carbon atoms, C37—C41 refined isotropically without attached hydrogen atoms.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Pt10.812595 (12)0.013603 (10)0.220868 (6)0.01636 (6)
Br10.66361 (3)0.00628 (3)0.294337 (18)0.02347 (9)
P10.67686 (8)0.01202 (7)0.13791 (4)0.01567 (19)
P20.96458 (8)0.00875 (7)0.29576 (4)0.01611 (19)
C10.5800 (3)0.0948 (3)0.13621 (18)0.0198 (8)
C20.6188 (4)0.1806 (3)0.16774 (19)0.0266 (9)
H20.69450.18200.18990.032*
C30.5473 (4)0.2635 (3)0.1668 (2)0.0346 (11)
H30.57460.32170.18800.042*
C40.4371 (4)0.2621 (3)0.1354 (2)0.0355 (11)
H40.38820.31910.13530.043*
C50.3971 (4)0.1778 (3)0.1038 (2)0.0322 (10)
H50.32100.17690.08190.039*
C60.4693 (3)0.0942 (3)0.10417 (19)0.0240 (9)
H60.44220.03650.08230.029*
C70.7401 (3)0.0056 (3)0.06702 (17)0.0185 (8)
C80.7027 (3)0.0634 (3)0.02249 (17)0.0192 (8)
H80.64360.11010.02890.023*
C90.7511 (3)0.0645 (3)0.03121 (19)0.0248 (9)
H90.72640.11290.06090.030*
C100.8355 (4)0.0051 (3)0.0415 (2)0.0284 (9)
H100.86800.00530.07840.034*
C110.8719 (4)0.0744 (3)0.00264 (19)0.0274 (9)
H110.92960.12210.00420.033*
C120.8255 (3)0.0748 (3)0.05623 (19)0.0238 (9)
H120.85180.12240.08610.029*
C130.5788 (3)0.1194 (3)0.12629 (17)0.0174 (8)
C140.5576 (4)0.1677 (3)0.07063 (19)0.0262 (9)
H140.59530.14520.03780.031*
C150.4815 (4)0.2485 (3)0.0634 (2)0.0312 (10)
H150.46800.28140.02580.037*
C160.4259 (3)0.2808 (3)0.1108 (2)0.0263 (9)
H160.37380.33580.10590.032*
C170.4458 (4)0.2332 (3)0.1654 (2)0.0270 (9)
H170.40710.25540.19800.032*
C180.5218 (3)0.1532 (3)0.17325 (19)0.0235 (9)
H180.53500.12120.21120.028*
C191.1083 (3)0.0236 (3)0.27520 (18)0.0208 (8)
C201.1525 (4)0.0325 (3)0.2312 (2)0.0302 (9)
H201.10570.08360.21130.036*
C211.2636 (4)0.0153 (4)0.2158 (2)0.0386 (11)
H211.29330.05540.18630.046*
C221.3311 (4)0.0599 (4)0.2434 (2)0.0453 (13)
H221.40730.07190.23290.054*
C231.2881 (4)0.1174 (5)0.2859 (3)0.0564 (16)
H231.33470.16950.30470.068*
C241.1766 (4)0.1002 (4)0.3019 (2)0.0398 (12)
H241.14730.14100.33120.048*
C250.9431 (3)0.0782 (3)0.35564 (17)0.0192 (8)
C260.9211 (4)0.1775 (3)0.3413 (2)0.0360 (11)
H260.91760.19880.30080.043*
C270.9041 (5)0.2453 (3)0.3856 (2)0.0386 (12)
H270.89110.31330.37530.046*
C280.9056 (4)0.2162 (3)0.4437 (2)0.0321 (10)
H280.89640.26360.47410.038*
C290.9204 (5)0.1177 (4)0.4578 (2)0.0531 (15)
H290.91760.09630.49790.064*
C300.9397 (5)0.0481 (4)0.4137 (2)0.0456 (13)
H300.95040.02010.42410.055*
C310.9927 (3)0.1291 (3)0.33214 (17)0.0189 (8)
C321.0999 (4)0.1501 (3)0.36455 (19)0.0265 (9)
H321.15970.10110.36880.032*
C331.1200 (4)0.2435 (3)0.3910 (2)0.0309 (10)
H331.19360.25770.41330.037*
C341.0339 (4)0.3151 (3)0.3849 (2)0.0309 (10)
H341.04820.37840.40310.037*
C350.9261 (4)0.2946 (3)0.3522 (2)0.0349 (11)
H350.86670.34400.34770.042*
C360.9057 (4)0.2014 (3)0.32603 (19)0.0264 (9)
H360.83190.18710.30390.032*
C380.6767 (8)0.4657 (6)0.0342 (4)0.091 (2)*
C370.6448 (15)0.4650 (12)0.0243 (8)0.089 (5)*0.50
C400.4782 (7)0.5159 (5)0.0497 (4)0.077 (2)*
H990.894 (5)0.020 (4)0.180 (3)0.057 (16)*
C410.4471 (12)0.5151 (9)0.0032 (7)0.064 (3)*0.50
C390.6047 (16)0.4962 (11)0.0734 (8)0.088 (5)*0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pt10.01457 (8)0.02045 (9)0.01384 (9)0.00028 (5)0.00079 (5)0.00044 (5)
Br10.01918 (19)0.0317 (2)0.0202 (2)0.00030 (15)0.00508 (15)0.00233 (15)
P10.0146 (4)0.0182 (4)0.0140 (5)0.0003 (3)0.0008 (4)0.0004 (4)
P20.0149 (4)0.0191 (5)0.0141 (5)0.0005 (3)0.0008 (4)0.0003 (4)
C10.0204 (19)0.0206 (19)0.020 (2)0.0010 (15)0.0070 (16)0.0007 (15)
C20.033 (2)0.024 (2)0.022 (2)0.0006 (17)0.0011 (18)0.0008 (16)
C30.054 (3)0.024 (2)0.025 (3)0.001 (2)0.001 (2)0.0054 (17)
C40.043 (3)0.025 (2)0.039 (3)0.0131 (19)0.009 (2)0.0037 (19)
C50.026 (2)0.035 (2)0.035 (3)0.0088 (18)0.002 (2)0.0041 (19)
C60.019 (2)0.025 (2)0.027 (2)0.0013 (15)0.0024 (17)0.0002 (16)
C70.0180 (18)0.0226 (19)0.0145 (19)0.0055 (14)0.0012 (14)0.0032 (14)
C80.0146 (18)0.025 (2)0.018 (2)0.0046 (15)0.0009 (15)0.0026 (15)
C90.026 (2)0.026 (2)0.022 (2)0.0091 (16)0.0027 (17)0.0024 (16)
C100.030 (2)0.036 (2)0.020 (2)0.0087 (18)0.0078 (18)0.0030 (17)
C110.024 (2)0.034 (2)0.025 (2)0.0040 (17)0.0067 (18)0.0031 (18)
C120.021 (2)0.026 (2)0.024 (2)0.0020 (16)0.0021 (17)0.0015 (16)
C130.0136 (18)0.0184 (18)0.019 (2)0.0022 (14)0.0023 (15)0.0042 (14)
C140.030 (2)0.028 (2)0.021 (2)0.0056 (17)0.0037 (18)0.0003 (17)
C150.037 (2)0.027 (2)0.029 (3)0.0074 (18)0.001 (2)0.0072 (18)
C160.021 (2)0.0187 (19)0.038 (3)0.0012 (15)0.0009 (18)0.0027 (17)
C170.028 (2)0.024 (2)0.031 (3)0.0027 (17)0.0100 (19)0.0033 (17)
C180.022 (2)0.024 (2)0.025 (2)0.0030 (16)0.0054 (17)0.0044 (16)
C190.0173 (18)0.0256 (19)0.020 (2)0.0001 (15)0.0034 (15)0.0027 (16)
C200.025 (2)0.036 (2)0.030 (2)0.0019 (18)0.0060 (18)0.0006 (19)
C210.028 (2)0.055 (3)0.036 (3)0.010 (2)0.015 (2)0.004 (2)
C220.019 (2)0.079 (4)0.040 (3)0.001 (2)0.011 (2)0.013 (3)
C230.025 (3)0.077 (4)0.068 (4)0.025 (3)0.009 (3)0.016 (3)
C240.028 (2)0.054 (3)0.039 (3)0.014 (2)0.010 (2)0.013 (2)
C250.0132 (17)0.025 (2)0.019 (2)0.0017 (14)0.0016 (15)0.0016 (15)
C260.062 (3)0.026 (2)0.022 (2)0.008 (2)0.009 (2)0.0033 (17)
C270.059 (3)0.021 (2)0.038 (3)0.009 (2)0.013 (2)0.0014 (19)
C280.040 (3)0.033 (2)0.022 (2)0.0061 (19)0.001 (2)0.0099 (18)
C290.093 (5)0.045 (3)0.021 (3)0.019 (3)0.005 (3)0.001 (2)
C300.078 (4)0.033 (2)0.025 (3)0.019 (3)0.004 (2)0.000 (2)
C310.0205 (19)0.0189 (18)0.018 (2)0.0018 (14)0.0034 (16)0.0013 (14)
C320.023 (2)0.029 (2)0.026 (2)0.0011 (16)0.0004 (18)0.0024 (17)
C330.029 (2)0.034 (2)0.031 (3)0.0085 (18)0.0063 (19)0.0067 (19)
C340.038 (3)0.026 (2)0.030 (3)0.0093 (18)0.008 (2)0.0068 (18)
C350.038 (3)0.023 (2)0.043 (3)0.0012 (18)0.007 (2)0.0043 (19)
C360.028 (2)0.022 (2)0.029 (2)0.0018 (16)0.0002 (18)0.0032 (17)
Geometric parameters (Å, º) top
Pt1—P22.2749 (12)C20—H200.9500
Pt1—P12.2805 (12)C21—C221.375 (8)
Pt1—Br12.5347 (8)C21—H210.9500
Pt1—H991.38 (6)C22—C231.367 (8)
P1—C11.816 (4)C22—H220.9500
P1—C71.831 (4)C23—C241.395 (6)
P1—C131.833 (4)C23—H230.9500
P2—C251.821 (4)C24—H240.9500
P2—C311.823 (4)C25—C301.371 (6)
P2—C191.824 (4)C25—C261.389 (6)
C1—C61.385 (5)C26—C271.381 (6)
C1—C21.398 (5)C26—H260.9500
C2—C31.384 (6)C27—C281.360 (6)
C2—H20.9500C27—H270.9500
C3—C41.375 (7)C28—C291.368 (7)
C3—H30.9500C28—H280.9500
C4—C51.386 (6)C29—C301.399 (7)
C4—H40.9500C29—H290.9500
C5—C61.399 (6)C30—H300.9500
C5—H50.9500C31—C321.383 (5)
C6—H60.9500C31—C361.391 (5)
C7—C81.393 (5)C32—C331.397 (6)
C7—C121.397 (5)C32—H320.9500
C8—C91.388 (5)C33—C341.376 (6)
C8—H80.9500C33—H330.9500
C9—C101.389 (6)C34—C351.392 (6)
C9—H90.9500C34—H340.9500
C10—C111.387 (6)C35—C361.392 (6)
C10—H100.9500C35—H350.9500
C11—C121.374 (6)C36—H360.9500
C11—H110.9500C38—C371.319 (18)
C12—H120.9500C38—C391.345 (19)
C13—C181.384 (5)C38—C41i1.529 (15)
C13—C141.402 (5)C37—C41i1.32 (2)
C14—C151.392 (6)C37—C40i1.484 (18)
C14—H140.9500C40—C411.198 (15)
C15—C161.378 (6)C40—C37i1.484 (18)
C15—H150.9500C40—C41i1.491 (16)
C16—C171.376 (6)C40—C391.512 (19)
C16—H160.9500C41—C41i1.28 (3)
C17—C181.384 (5)C41—C37i1.32 (2)
C17—H170.9500C41—C40i1.491 (16)
C18—H180.9500C41—C38i1.529 (15)
C19—C241.386 (6)C41—C39i1.62 (2)
C19—C201.389 (6)C39—C41i1.62 (2)
C20—C211.385 (6)
P2—Pt1—P1172.73 (3)C22—C21—C20120.0 (5)
P2—Pt1—Br192.10 (3)C22—C21—H21120.0
P1—Pt1—Br194.57 (3)C20—C21—H21120.0
P2—Pt1—H9988 (2)C23—C22—C21119.8 (4)
P1—Pt1—H9985 (2)C23—C22—H22120.1
Br1—Pt1—H99177 (2)C21—C22—H22120.1
C1—P1—C7104.64 (17)C22—C23—C24120.6 (5)
C1—P1—C13104.72 (17)C22—C23—H23119.7
C7—P1—C13102.54 (17)C24—C23—H23119.7
C1—P1—Pt1112.48 (13)C19—C24—C23120.2 (5)
C7—P1—Pt1113.87 (13)C19—C24—H24119.9
C13—P1—Pt1117.25 (12)C23—C24—H24119.9
C25—P2—C31105.78 (17)C30—C25—C26118.6 (4)
C25—P2—C19104.02 (18)C30—C25—P2122.3 (3)
C31—P2—C19102.00 (17)C26—C25—P2118.9 (3)
C25—P2—Pt1113.74 (12)C27—C26—C25120.4 (4)
C31—P2—Pt1112.60 (13)C27—C26—H26119.8
C19—P2—Pt1117.36 (13)C25—C26—H26119.8
C6—C1—C2119.0 (4)C28—C27—C26120.9 (4)
C6—C1—P1122.0 (3)C28—C27—H27119.5
C2—C1—P1119.0 (3)C26—C27—H27119.5
C3—C2—C1120.3 (4)C27—C28—C29119.2 (4)
C3—C2—H2119.9C27—C28—H28120.4
C1—C2—H2119.9C29—C28—H28120.4
C4—C3—C2120.5 (4)C28—C29—C30120.7 (5)
C4—C3—H3119.8C28—C29—H29119.6
C2—C3—H3119.8C30—C29—H29119.6
C3—C4—C5120.1 (4)C25—C30—C29120.0 (4)
C3—C4—H4119.9C25—C30—H30120.0
C5—C4—H4119.9C29—C30—H30120.0
C4—C5—C6119.6 (4)C32—C31—C36119.6 (4)
C4—C5—H5120.2C32—C31—P2121.0 (3)
C6—C5—H5120.2C36—C31—P2119.3 (3)
C1—C6—C5120.5 (4)C31—C32—C33119.9 (4)
C1—C6—H6119.8C31—C32—H32120.0
C5—C6—H6119.8C33—C32—H32120.0
C8—C7—C12118.8 (4)C34—C33—C32120.4 (4)
C8—C7—P1122.3 (3)C34—C33—H33119.8
C12—C7—P1118.8 (3)C32—C33—H33119.8
C9—C8—C7120.6 (4)C33—C34—C35119.9 (4)
C9—C8—H8119.7C33—C34—H34120.0
C7—C8—H8119.7C35—C34—H34120.0
C8—C9—C10120.0 (4)C36—C35—C34119.7 (4)
C8—C9—H9120.0C36—C35—H35120.2
C10—C9—H9120.0C34—C35—H35120.2
C11—C10—C9119.4 (4)C31—C36—C35120.4 (4)
C11—C10—H10120.3C31—C36—H36119.8
C9—C10—H10120.3C35—C36—H36119.8
C12—C11—C10120.8 (4)C37—C38—C39122.4 (13)
C12—C11—H11119.6C37—C38—C41i54.4 (10)
C10—C11—H11119.6C39—C38—C41i68.4 (10)
C11—C12—C7120.4 (4)C41i—C37—C3871.0 (12)
C11—C12—H12119.8C41i—C37—C40i50.2 (9)
C7—C12—H12119.8C38—C37—C40i121.2 (14)
C18—C13—C14118.7 (3)C41—C40—C37i57.6 (10)
C18—C13—P1119.4 (3)C41—C40—C41i55.4 (11)
C14—C13—P1121.9 (3)C37i—C40—C41i112.6 (11)
C15—C14—C13120.2 (4)C41—C40—C39120.5 (12)
C15—C14—H14119.9C37i—C40—C39178.0 (12)
C13—C14—H14119.9C41i—C40—C3965.5 (9)
C16—C15—C14120.1 (4)C40—C41—C41i74.0 (13)
C16—C15—H15120.0C40—C41—C37i72.2 (12)
C14—C15—H15120.0C41i—C41—C37i145 (2)
C17—C16—C15119.9 (4)C40—C41—C40i124.6 (11)
C17—C16—H16120.1C41i—C41—C40i50.6 (11)
C15—C16—H16120.1C37i—C41—C40i162.0 (15)
C16—C17—C18120.6 (4)C40—C41—C38i126.8 (12)
C16—C17—H17119.7C41i—C41—C38i158.2 (19)
C18—C17—H17119.7C37i—C41—C38i54.6 (9)
C17—C18—C13120.6 (4)C40i—C41—C38i108.3 (11)
C17—C18—H18119.7C40—C41—C39i173.6 (14)
C13—C18—H18119.7C41i—C41—C39i108.1 (17)
C24—C19—C20118.3 (4)C37i—C41—C39i104.7 (13)
C24—C19—P2123.5 (3)C40i—C41—C39i57.9 (9)
C20—C19—P2118.2 (3)C38i—C41—C39i50.4 (8)
C21—C20—C19121.0 (4)C38—C39—C40117.8 (14)
C21—C20—H20119.5C38—C39—C41i61.2 (10)
C19—C20—H20119.5C40—C39—C41i56.7 (9)
Br1—Pt1—P1—C152.33 (13)P2—C19—C20—C21176.4 (3)
Br1—Pt1—P1—C7171.16 (13)C19—C20—C21—C221.5 (7)
Br1—Pt1—P1—C1369.17 (14)C20—C21—C22—C230.1 (8)
Br1—Pt1—P2—C2537.45 (14)C21—C22—C23—C240.3 (9)
Br1—Pt1—P2—C3182.87 (14)C20—C19—C24—C232.0 (7)
Br1—Pt1—P2—C19159.16 (14)P2—C19—C24—C23176.8 (4)
C7—P1—C1—C679.7 (4)C22—C23—C24—C190.7 (9)
C13—P1—C1—C627.8 (4)C31—P2—C25—C305.5 (4)
Pt1—P1—C1—C6156.2 (3)C19—P2—C25—C30112.5 (4)
C7—P1—C1—C299.7 (3)Pt1—P2—C25—C30118.6 (4)
C13—P1—C1—C2152.8 (3)C31—P2—C25—C26179.3 (3)
Pt1—P1—C1—C224.4 (4)C19—P2—C25—C2672.2 (4)
C6—C1—C2—C30.0 (6)Pt1—P2—C25—C2656.6 (4)
P1—C1—C2—C3179.4 (3)C30—C25—C26—C274.4 (7)
C1—C2—C3—C40.6 (7)P2—C25—C26—C27179.8 (4)
C2—C3—C4—C50.7 (7)C25—C26—C27—C281.7 (8)
C3—C4—C5—C60.2 (7)C26—C27—C28—C292.1 (8)
C2—C1—C6—C50.5 (6)C27—C28—C29—C303.2 (9)
P1—C1—C6—C5179.9 (3)C26—C25—C30—C293.3 (8)
C4—C5—C6—C10.4 (7)P2—C25—C30—C29178.6 (4)
C1—P1—C7—C86.8 (3)C28—C29—C30—C250.4 (9)
C13—P1—C7—C8102.3 (3)C25—P2—C31—C3275.6 (4)
Pt1—P1—C7—C8130.0 (3)C19—P2—C31—C3232.9 (4)
C1—P1—C7—C12175.8 (3)Pt1—P2—C31—C32159.6 (3)
C13—P1—C7—C1275.1 (3)C25—P2—C31—C36105.7 (3)
Pt1—P1—C7—C1252.6 (3)C19—P2—C31—C36145.8 (3)
C12—C7—C8—C91.2 (5)Pt1—P2—C31—C3619.1 (4)
P1—C7—C8—C9178.6 (3)C36—C31—C32—C330.1 (6)
C7—C8—C9—C101.6 (6)P2—C31—C32—C33178.7 (3)
C8—C9—C10—C111.0 (6)C31—C32—C33—C340.1 (7)
C9—C10—C11—C120.0 (6)C32—C33—C34—C350.1 (7)
C10—C11—C12—C70.4 (6)C33—C34—C35—C360.4 (7)
C8—C7—C12—C110.2 (6)C32—C31—C36—C350.2 (6)
P1—C7—C12—C11177.7 (3)P2—C31—C36—C35178.5 (3)
C1—P1—C13—C1876.5 (3)C34—C35—C36—C310.5 (7)
C7—P1—C13—C18174.4 (3)C39—C38—C37—C41i8.6 (16)
Pt1—P1—C13—C1848.9 (3)C39—C38—C37—C40i9 (2)
C1—P1—C13—C14102.2 (3)C41i—C38—C37—C40i0.3 (10)
C7—P1—C13—C146.8 (3)C37i—C40—C41—C41i172.6 (17)
Pt1—P1—C13—C14132.3 (3)C39—C40—C41—C41i7.5 (16)
C18—C13—C14—C150.6 (6)C41i—C40—C41—C37i172.6 (17)
P1—C13—C14—C15179.3 (3)C39—C40—C41—C37i179.8 (12)
C13—C14—C15—C160.6 (6)C37i—C40—C41—C40i172.6 (17)
C14—C15—C16—C170.2 (6)C41i—C40—C41—C40i0.000 (1)
C15—C16—C17—C180.2 (6)C39—C40—C41—C40i7.5 (16)
C16—C17—C18—C130.2 (6)C37i—C40—C41—C38i0.4 (12)
C14—C13—C18—C170.2 (6)C41i—C40—C41—C38i173 (2)
P1—C13—C18—C17179.0 (3)C39—C40—C41—C38i179.5 (11)
C25—P2—C19—C241.0 (4)C37—C38—C39—C409 (2)
C31—P2—C19—C24110.8 (4)C41i—C38—C39—C401.4 (11)
Pt1—P2—C19—C24125.7 (4)C37—C38—C39—C41i7.5 (14)
C25—P2—C19—C20177.9 (3)C41—C40—C39—C388.3 (18)
C31—P2—C19—C2068.0 (4)C41i—C40—C39—C381.5 (11)
Pt1—P2—C19—C2055.5 (4)C41—C40—C39—C41i6.8 (15)
C24—C19—C20—C212.5 (7)
Symmetry code: (i) x+1, y+1, z.
 

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