In the title compound, [Pt2(C6H6P)2(C26H48P2)2]Cl2·2CH2Cl2·C6H14, the cation crystallizes as a phosphido-bridged PtI dimer [Pt(dcype)(μ-PPhH)]2Cl2, with crystallographic 2/m symmetry [dcype is 1,2-bis(dicyclohexylphosphino)ethane]. The Pt2P2 core forms a planar distorted square capped by chelating bis-phosphine ligands, resulting in a distorted square-planar geometry for the Pt atoms. In the Pt2P2 core, the Pt—P bond length is 2.3403 (9) Å, with a narrow P—Pt—P angle of 76.87 (6)° and a wide Pt—P—Pt angle of 103.13 (6)°. The bite angle of the dcype ligand is 85.70 (6)°, with a Pt—P bond length of 2.2993 (11)°.
Supporting information
CCDC reference: 255433
Key indicators
- Single-crystal X-ray study
- T = 150 K
- Mean (C-C) = 0.008 Å
Some non-H atoms missing
- Disorder in solvent or counterion
- R factor = 0.036
- wR factor = 0.087
- Data-to-parameter ratio = 23.5
checkCIF/PLATON results
No syntax errors found
Alert level A
PLAT432_ALERT_2_A Short Inter X...Y Contact C1SA .. Cl1A .. 2.67 Ang.
| Author Response: This is an artefact arising from two partially disordered
sites which are not occupied simultaneously.
|
PLAT601_ALERT_2_A Structure Contains Solvent Accessible VOIDS of . 303.00 A 3
| Author Response: This void is present because the contribution of one highly
disordered molecule of hexane has been removed from the intensity data
using the program SQUEEZE in PLATON (Spek, 2004). See Experimental section
for further details.
|
Alert level B
CHEMW03_ALERT_2_B WARNING: The ratio of given/expected molecular weight as
calculated from the _atom_site* data lies outside
the range 0.95 <> 1.05
From the CIF: _cell_formula_units_Z 2
From the CIF: _chemical_formula_weight 1780.43
TEST: Calculate formula weight from _atom_site_*
atom mass num sum
C 12.01 66.00 792.73
H 1.01 112.00 112.90
Cl 35.45 6.00 212.72
P 30.97 6.00 185.84
Pt 195.08 2.00 390.16
H 1.01 0.00 0.00
Calculated formula weight 1694.34
PLAT043_ALERT_1_B Check Reported Molecular Weight ................ 1780.43
PLAT044_ALERT_1_B Calculated and Reported Dx Differ .............. ?
Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ?
PLAT076_ALERT_1_C Occupancy 0.50 less than 1.0 for Sp.pos . C1S
PLAT076_ALERT_1_C Occupancy 0.50 less than 1.0 for Sp.pos . H1#
PLAT076_ALERT_1_C Occupancy 0.50 less than 1.0 for Sp.pos . H2#
PLAT076_ALERT_1_C Occupancy 0.50 less than 1.0 for Sp.pos . C1#
PLAT076_ALERT_1_C Occupancy 0.50 less than 1.0 for Sp.pos . H3#
PLAT076_ALERT_1_C Occupancy 0.50 less than 1.0 for Sp.pos . H4#
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors for Cl2
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors for C1SA
PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors for C1S
PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 33.00 Perc.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 5
Alert level G
FORMU01_ALERT_2_G 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:C72 H126 Cl6 P6 Pt2
Atom count from the _atom_site data: C66 H112 Cl6 P6 Pt2
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G ALERT: Large difference may be due to a
symmetry error - see SYMMG tests
From the CIF: _cell_formula_units_Z 2
From the CIF: _chemical_formula_sum C72 H126 Cl6 P6 Pt2
TEST: Compare cell contents of formula and atom_site data
atom Z*formula cif sites diff
C 144.00 132.00 12.00
H 252.00 224.00 28.00
Cl 12.00 12.00 0.00
P 12.00 12.00 0.00
Pt 4.00 4.00 0.00
2 ALERT level A = In general: serious problem
3 ALERT level B = Potentially serious problem
14 ALERT level C = Check and explain
3 ALERT level G = General alerts; check
13 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
4 ALERT type 2 Indicator that the structure model may be wrong or deficient
0 ALERT type 3 Indicator that the structure quality may be low
5 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: COLLECT (Nonius, 1997-2003); cell refinement: DENZO–SMN (Otwinowski & Minor, 1997); data reduction: DENZO–SMN; program(s) used to solve structure: SHELXTL (Sheldrick, 2001); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
Bis(µ-phenylphosphido-
κ2P:
P)bis{[1,2-(dicyclohexylphosphino)ethane-
κ2P,
P']platinum(I)} dichloride bis(dichloromethane)
hexane solvate
top
Crystal data top
[Pt2(C6H6P)2(C26H48P2)2]Cl2·2CH2Cl2·C6H14 | F(000) = 1812 |
Mr = 1780.43 | Dx = 1.461 Mg m−3 |
Monoclinic, C2/m | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2y | Cell parameters from 14701 reflections |
a = 25.2590 (9) Å | θ = 2.6–27.5° |
b = 13.9810 (5) Å | µ = 3.81 mm−1 |
c = 12.3080 (5) Å | T = 150 K |
β = 111.348 (2)° | Block, colourless |
V = 4048.3 (3) Å3 | 0.12 × 0.10 × 0.10 mm |
Z = 2 | |
Data collection top
Nonius KapppaCCD diffractometer | 4810 independent reflections |
Radiation source: fine-focus sealed tube | 4223 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.061 |
Detector resolution: 9 pixels mm-1 | θmax = 27.5°, θmin = 2.7° |
φ scans and ω scans with κ offsets | h = −32→30 |
Absorption correction: multi-scan (SORTAV; Blessing, 1995) | k = −16→18 |
Tmin = 0.636, Tmax = 0.683 | l = −15→15 |
14701 measured reflections | |
Refinement top
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.036 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.087 | w = 1/[σ2(Fo2) + (0.0435P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.09 | (Δ/σ)max = 0.002 |
4810 reflections | Δρmax = 2.26 e Å−3 |
205 parameters | Δρmin = −1.38 e Å−3 |
1 restraint | Extinction correction: SHELXTL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.00110 (10) |
Special details top
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 | x | y | z | Uiso*/Ueq | Occ. (<1) |
Pt1 | 0.0000 | 0.131118 (14) | 0.5000 | 0.02304 (10) | |
P1 | 0.06391 (5) | 0.25169 (7) | 0.51287 (9) | 0.0262 (2) | |
H1P | 0.114 (3) | 0.0000 | 0.535 (5) | 0.035 (17)* | |
P2 | 0.06166 (6) | 0.0000 | 0.55508 (12) | 0.0243 (3) | |
C1 | 0.0327 (2) | 0.3683 (3) | 0.5233 (4) | 0.0317 (10) | |
H1A | 0.0469 | 0.3886 | 0.6061 | 0.038* | |
H1B | 0.0457 | 0.4160 | 0.4791 | 0.038* | |
C2 | 0.07685 (19) | 0.2521 (3) | 0.3735 (4) | 0.0310 (9) | |
H2A | 0.0992 | 0.3108 | 0.3721 | 0.037* | |
C3 | 0.0203 (2) | 0.2579 (3) | 0.2720 (4) | 0.0349 (10) | |
H3A | 0.0001 | 0.3169 | 0.2788 | 0.042* | |
H3B | −0.0036 | 0.2025 | 0.2746 | 0.042* | |
C4 | 0.0294 (2) | 0.2582 (4) | 0.1558 (4) | 0.0460 (12) | |
H4A | −0.0080 | 0.2587 | 0.0909 | 0.055* | |
H4B | 0.0499 | 0.3172 | 0.1500 | 0.055* | |
C5 | 0.0629 (2) | 0.1721 (4) | 0.1437 (4) | 0.0473 (12) | |
H5A | 0.0695 | 0.1762 | 0.0693 | 0.057* | |
H5B | 0.0408 | 0.1132 | 0.1418 | 0.057* | |
C6 | 0.1196 (2) | 0.1669 (4) | 0.2449 (4) | 0.0458 (12) | |
H6A | 0.1431 | 0.2230 | 0.2424 | 0.055* | |
H6B | 0.1402 | 0.1085 | 0.2375 | 0.055* | |
C7 | 0.1109 (2) | 0.1653 (4) | 0.3618 (4) | 0.0386 (10) | |
H7A | 0.0905 | 0.1061 | 0.3674 | 0.046* | |
H7B | 0.1483 | 0.1650 | 0.4265 | 0.046* | |
C8 | 0.13461 (18) | 0.2549 (3) | 0.6302 (4) | 0.0332 (10) | |
H8A | 0.1553 | 0.1957 | 0.6231 | 0.040* | |
C9 | 0.1312 (2) | 0.2546 (3) | 0.7519 (4) | 0.0383 (11) | |
H9A | 0.1111 | 0.1962 | 0.7617 | 0.046* | |
H9B | 0.1092 | 0.3108 | 0.7604 | 0.046* | |
C10 | 0.1910 (2) | 0.2574 (4) | 0.8465 (5) | 0.0544 (15) | |
H10A | 0.1880 | 0.2592 | 0.9244 | 0.065* | |
H10B | 0.2120 | 0.1986 | 0.8417 | 0.065* | |
C11 | 0.2235 (3) | 0.3442 (4) | 0.8314 (5) | 0.0640 (18) | |
H11A | 0.2040 | 0.4030 | 0.8416 | 0.077* | |
H11B | 0.2622 | 0.3438 | 0.8918 | 0.077* | |
C12 | 0.2275 (2) | 0.3447 (4) | 0.7122 (6) | 0.0613 (16) | |
H12A | 0.2501 | 0.2889 | 0.7050 | 0.074* | |
H12B | 0.2475 | 0.4034 | 0.7033 | 0.074* | |
C13 | 0.1690 (2) | 0.3410 (4) | 0.6151 (5) | 0.0491 (13) | |
H13A | 0.1736 | 0.3365 | 0.5387 | 0.059* | |
H13B | 0.1481 | 0.4007 | 0.6158 | 0.059* | |
C14 | 0.0938 (2) | 0.0000 | 0.7138 (5) | 0.0278 (12) | |
C15 | 0.0598 (3) | 0.0000 | 0.7821 (5) | 0.0323 (13) | |
H15A | 0.0196 | 0.0000 | 0.7446 | 0.039* | |
C16 | 0.0831 (3) | 0.0000 | 0.9013 (6) | 0.0447 (17) | |
H16A | 0.0593 | 0.0000 | 0.9457 | 0.054* | |
C17 | 0.1423 (3) | 0.0000 | 0.9578 (6) | 0.0480 (18) | |
H17A | 0.1586 | 0.0000 | 1.0406 | 0.058* | |
C18 | 0.1769 (3) | 0.0000 | 0.8933 (6) | 0.0467 (18) | |
H18A | 0.2170 | 0.0000 | 0.9317 | 0.056* | |
C19 | 0.1528 (3) | 0.0000 | 0.7708 (5) | 0.0354 (14) | |
H19A | 0.1768 | 0.0000 | 0.7266 | 0.043* | |
Cl1 | 0.0629 (2) | 0.5000 | 0.2809 (4) | 0.0558 (9) | 0.60 |
Cl1a | 0.0897 (3) | 0.5000 | 0.3404 (5) | 0.0470 (12) | 0.40 |
Cl2 | 0.26019 (10) | 0.10394 (19) | 0.6145 (2) | 0.1069 (7) | |
C1S | 0.2690 (9) | 0.0000 | 0.5444 (15) | 0.068 (5)* | 0.50 |
H1S1 | 0.3076 | 0.0000 | 0.5409 | 0.082* | 0.50 |
H1S2 | 0.2411 | 0.0000 | 0.4633 | 0.082* | 0.50 |
C1Sa | 0.2986 (7) | 0.0000 | 0.615 (3) | 0.115 (9)* | 0.50 |
H1S3 | 0.3095 | 0.0000 | 0.5455 | 0.138* | 0.50 |
H1S4 | 0.3339 | 0.0000 | 0.6850 | 0.138* | 0.50 |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Pt1 | 0.02754 (14) | 0.02024 (13) | 0.01880 (13) | 0.000 | 0.00542 (8) | 0.000 |
P1 | 0.0307 (6) | 0.0228 (5) | 0.0219 (5) | −0.0028 (4) | 0.0057 (4) | −0.0005 (4) |
P2 | 0.0265 (7) | 0.0197 (7) | 0.0231 (7) | 0.000 | 0.0046 (6) | 0.000 |
C1 | 0.050 (3) | 0.0189 (19) | 0.027 (2) | −0.0099 (18) | 0.0141 (19) | −0.0032 (17) |
C2 | 0.039 (3) | 0.028 (2) | 0.027 (2) | −0.0020 (18) | 0.0146 (19) | 0.0028 (17) |
C3 | 0.046 (3) | 0.036 (2) | 0.026 (2) | 0.003 (2) | 0.016 (2) | −0.0037 (19) |
C4 | 0.064 (3) | 0.048 (3) | 0.028 (2) | 0.009 (3) | 0.020 (2) | 0.002 (2) |
C5 | 0.068 (3) | 0.050 (3) | 0.031 (2) | 0.001 (3) | 0.027 (2) | −0.006 (2) |
C6 | 0.048 (3) | 0.055 (3) | 0.043 (3) | 0.004 (3) | 0.028 (2) | −0.004 (3) |
C7 | 0.037 (2) | 0.044 (3) | 0.034 (2) | 0.005 (2) | 0.0118 (19) | 0.000 (2) |
C8 | 0.033 (2) | 0.031 (2) | 0.028 (2) | −0.0029 (18) | 0.0020 (18) | −0.0035 (18) |
C9 | 0.049 (3) | 0.032 (2) | 0.025 (2) | −0.001 (2) | 0.003 (2) | −0.0010 (19) |
C10 | 0.055 (3) | 0.044 (3) | 0.038 (3) | −0.009 (2) | −0.014 (2) | −0.002 (2) |
C11 | 0.056 (4) | 0.052 (3) | 0.052 (3) | −0.017 (3) | −0.019 (3) | −0.002 (3) |
C12 | 0.041 (3) | 0.054 (3) | 0.069 (4) | −0.017 (3) | −0.004 (3) | 0.000 (3) |
C13 | 0.044 (3) | 0.052 (3) | 0.044 (3) | −0.020 (2) | 0.006 (2) | 0.000 (2) |
C14 | 0.034 (3) | 0.019 (3) | 0.024 (3) | 0.000 | 0.003 (2) | 0.000 |
C15 | 0.037 (3) | 0.029 (3) | 0.029 (3) | 0.000 | 0.010 (3) | 0.000 |
C16 | 0.066 (5) | 0.036 (4) | 0.034 (3) | 0.000 | 0.021 (3) | 0.000 |
C17 | 0.065 (5) | 0.042 (4) | 0.025 (3) | 0.000 | 0.003 (3) | 0.000 |
C18 | 0.046 (4) | 0.039 (4) | 0.037 (4) | 0.000 | −0.008 (3) | 0.000 |
C19 | 0.034 (3) | 0.032 (3) | 0.032 (3) | 0.000 | 0.002 (3) | 0.000 |
Cl1 | 0.081 (3) | 0.0361 (17) | 0.057 (2) | 0.000 | 0.033 (2) | 0.000 |
Cl1a | 0.075 (4) | 0.030 (2) | 0.047 (3) | 0.000 | 0.036 (3) | 0.000 |
Cl2 | 0.1023 (16) | 0.1011 (14) | 0.140 (2) | 0.0295 (13) | 0.0709 (15) | 0.0097 (15) |
Geometric parameters (Å, º) top
Pt1—P1i | 2.2993 (11) | C9—C10 | 1.536 (6) |
Pt1—P1 | 2.2993 (11) | C9—H9A | 0.9900 |
Pt1—P2ii | 2.3403 (9) | C9—H9B | 0.9900 |
Pt1—P2 | 2.3403 (9) | C10—C11 | 1.514 (8) |
P1—C1 | 1.836 (4) | C10—H10A | 0.9900 |
P1—C8 | 1.843 (4) | C10—H10B | 0.9900 |
P1—C2 | 1.859 (4) | C11—C12 | 1.506 (10) |
H1P—P2 | 1.43 (6) | C11—H11A | 0.9900 |
P2—C14 | 1.822 (6) | C11—H11B | 0.9900 |
P2—Pt1ii | 2.3403 (9) | C12—C13 | 1.525 (7) |
C1—C1i | 1.537 (9) | C12—H12A | 0.9900 |
C1—H1A | 0.9900 | C12—H12B | 0.9900 |
C1—H1B | 0.9900 | C13—H13A | 0.9900 |
C2—C3 | 1.520 (6) | C13—H13B | 0.9900 |
C2—C7 | 1.525 (6) | C14—C19 | 1.397 (8) |
C2—H2A | 1.0000 | C14—C15 | 1.405 (8) |
C3—C4 | 1.529 (6) | C15—C16 | 1.367 (9) |
C3—H3A | 0.9900 | C15—H15A | 0.9500 |
C3—H3B | 0.9900 | C16—C17 | 1.400 (10) |
C4—C5 | 1.510 (7) | C16—H16A | 0.9500 |
C4—H4A | 0.9900 | C17—C18 | 1.376 (11) |
C4—H4B | 0.9900 | C17—H17A | 0.9500 |
C5—C6 | 1.521 (7) | C18—C19 | 1.405 (9) |
C5—H5A | 0.9900 | C18—H18A | 0.9500 |
C5—H5B | 0.9900 | C19—H19A | 0.9500 |
C6—C7 | 1.533 (6) | Cl2—C1S | 1.746 (8) |
C6—H6A | 0.9900 | Cl2—C1Sa | 1.746 (8) |
C6—H6B | 0.9900 | C1S—Cl2iii | 1.746 (8) |
C7—H7A | 0.9900 | C1S—H1S1 | 0.9900 |
C7—H7B | 0.9900 | C1S—H1S2 | 0.9900 |
C8—C9 | 1.532 (6) | C1Sa—Cl2iii | 1.746 (8) |
C8—C13 | 1.536 (6) | C1Sa—H1S3 | 0.9900 |
C8—H8A | 1.0000 | C1Sa—H1S4 | 0.9900 |
| | | |
P1i—Pt1—P1 | 85.70 (6) | C9—C8—H8A | 107.5 |
P1i—Pt1—P2ii | 100.24 (4) | C13—C8—H8A | 107.5 |
P1—Pt1—P2ii | 166.11 (4) | P1—C8—H8A | 107.5 |
P1i—Pt1—P2 | 166.11 (4) | C8—C9—C10 | 110.5 (4) |
P1—Pt1—P2 | 100.24 (4) | C8—C9—H9A | 109.5 |
P2i—Pt1—P2 | 76.87 (6) | C10—C9—H9A | 109.5 |
C1—P1—C8 | 104.0 (2) | C8—C9—H9B | 109.5 |
C1—P1—C2 | 106.6 (2) | C10—C9—H9B | 109.5 |
C8—P1—C2 | 106.1 (2) | H9A—C9—H9B | 108.1 |
C1—P1—Pt1 | 110.29 (14) | C11—C10—C9 | 110.8 (4) |
C8—P1—Pt1 | 121.83 (15) | C11—C10—H10A | 109.5 |
C2—P1—Pt1 | 107.08 (14) | C9—C10—H10A | 109.5 |
H1P—P2—C14 | 96 (2) | C11—C10—H10B | 109.5 |
H1P—P2—Pt1ii | 120.6 (10) | C9—C10—H10B | 109.5 |
C14—P2—Pt1ii | 107.49 (12) | H10A—C10—H10B | 108.1 |
H1P—P2—Pt1 | 120.6 (10) | C12—C11—C10 | 110.8 (5) |
C14—P2—Pt1 | 107.49 (12) | C12—C11—H11A | 109.5 |
Pt1ii—P2—Pt1 | 103.13 (6) | C10—C11—H11A | 109.5 |
C1i—C1—P1 | 113.85 (17) | C12—C11—H11B | 109.5 |
C1i—C1—H1A | 108.8 | C10—C11—H11B | 109.5 |
P1—C1—H1A | 108.8 | H11A—C11—H11B | 108.1 |
C1i—C1—H1B | 108.8 | C11—C12—C13 | 112.0 (5) |
P1—C1—H1B | 108.8 | C11—C12—H12A | 109.2 |
H1A—C1—H1B | 107.7 | C13—C12—H12A | 109.2 |
C3—C2—C7 | 111.0 (4) | C11—C12—H12B | 109.2 |
C3—C2—P1 | 109.3 (3) | C13—C12—H12B | 109.2 |
C7—C2—P1 | 112.3 (3) | H12A—C12—H12B | 107.9 |
C3—C2—H2A | 108.1 | C12—C13—C8 | 111.2 (4) |
C7—C2—H2A | 108.1 | C12—C13—H13A | 109.4 |
P1—C2—H2A | 108.1 | C8—C13—H13A | 109.4 |
C2—C3—C4 | 110.7 (4) | C12—C13—H13B | 109.4 |
C2—C3—H3A | 109.5 | C8—C13—H13B | 109.4 |
C4—C3—H3A | 109.5 | H13A—C13—H13B | 108.0 |
C2—C3—H3B | 109.5 | C19—C14—C15 | 118.2 (5) |
C4—C3—H3B | 109.5 | C19—C14—P2 | 121.1 (5) |
H3A—C3—H3B | 108.1 | C15—C14—P2 | 120.7 (4) |
C5—C4—C3 | 111.7 (4) | C16—C15—C14 | 121.5 (6) |
C5—C4—H4A | 109.3 | C16—C15—H15A | 119.2 |
C3—C4—H4A | 109.3 | C14—C15—H15A | 119.2 |
C5—C4—H4B | 109.3 | C15—C16—C17 | 119.9 (7) |
C3—C4—H4B | 109.3 | C15—C16—H16A | 120.0 |
H4A—C4—H4B | 107.9 | C17—C16—H16A | 120.0 |
C4—C5—C6 | 110.6 (4) | C18—C17—C16 | 120.0 (6) |
C4—C5—H5A | 109.5 | C18—C17—H17A | 120.0 |
C6—C5—H5A | 109.5 | C16—C17—H17A | 120.0 |
C4—C5—H5B | 109.5 | C17—C18—C19 | 120.1 (7) |
C6—C5—H5B | 109.5 | C17—C18—H18A | 120.0 |
H5A—C5—H5B | 108.1 | C19—C18—H18A | 120.0 |
C5—C6—C7 | 110.8 (4) | C14—C19—C18 | 120.3 (6) |
C5—C6—H6A | 109.5 | C14—C19—H19A | 119.8 |
C7—C6—H6A | 109.5 | C18—C19—H19A | 119.8 |
C5—C6—H6B | 109.5 | Cl2—C1S—Cl2iii | 112.7 (8) |
C7—C6—H6B | 109.5 | Cl2—C1S—H1S1 | 109.0 |
H6A—C6—H6B | 108.1 | Cl2iii—C1S—H1S1 | 109.0 |
C2—C7—C6 | 110.8 (4) | Cl2—C1S—H1S2 | 109.0 |
C2—C7—H7A | 109.5 | Cl2iii—C1S—H1S2 | 109.0 |
C6—C7—H7A | 109.5 | H1S1—C1S—H1S2 | 107.8 |
C2—C7—H7B | 109.5 | Cl2iii—C1Sa—Cl2 | 112.7 (8) |
C6—C7—H7B | 109.5 | Cl2iii—C1Sa—H1S3 | 109.0 |
H7A—C7—H7B | 108.1 | Cl2—C1Sa—H1S3 | 109.0 |
C9—C8—C13 | 110.9 (4) | Cl2iii—C1Sa—H1S4 | 109.1 |
C9—C8—P1 | 112.5 (3) | Cl2—C1Sa—H1S4 | 109.1 |
C13—C8—P1 | 110.7 (3) | H1S3—C1Sa—H1S4 | 107.8 |
Symmetry codes: (i) −x, y, −z+1; (ii) −x, −y, −z+1; (iii) x, −y, z. |