Di-μ-chloro-bis­[chloro­(tri­cyclo­hexylphosphine-κP)­mercury(II)]

In the title compound, [Hg₂Cl₄(C₁₈H₃₃P)₂], there are two independent centrosymmetric Hg^II dimers, the asymmetric unit containing half of each. The coordination about each Hg atom is highly distorted tetrahedral, three sites being occupied by one terminal and two bridging Cl atoms, and the remaining site by the P atom of a tri­cyclo­hexyl­phosphine ligand (PCy₃). The Hg atoms in the dimers are 3.792 (3) and 3.940 (3) Å apart and are thus non-bonded.

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](C-C) = 0.006 Å
• R factor = 0.031
• wR factor = 0.075
• Data-to-parameter ratio = 22.4

checkCIF/PLATON results

No syntax errors found



Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           28.31
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               9306
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         9966
           Completeness (_total/calc)             93.38%
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
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.20
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Hg2    -   Cl3     ..       8.20 su

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   8 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT-Plus (Bruker, 1998); program(s) used to solve structure: SHELXTL (Sheldrick, 1997b); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Di-µ-chloro-bis[chloro(tricyclohexylphosphine-κP)mercury(II)]

Crystal data

[Hg2Cl4(C18H33P)2]	Z = 4
Mr = 551.90	F(000) = 1080
Triclinic, P1	Dx = 1.830 Mg m^−3
a = 10.7825 (7) Å	Mo Kα radiation, λ = 0.71073 Å
b = 13.8572 (9) Å	Cell parameters from 2685 reflections
c = 14.5242 (10) Å	θ = 2.3–27.9°
α = 85.633 (1)°	µ = 8.02 mm^−1
β = 80.182 (1)°	T = 100 K
γ = 69.582 (1)°	Prism, light green
V = 2003.7 (2) Å^3	0.32 × 0.26 × 0.22 mm

Data collection

Bruker SMART CCD area-detector diffractometer	9306 independent reflections
Radiation source: fine-focus sealed tube	8459 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.029
φ and ω scans	θmax = 28.3°, θmin = 1.4°
Absorption correction: multi-scan (SADABS; Sheldrick, 1997a)	h = −14→14
Tmin = 0.089, Tmax = 0.171	k = −17→18
23115 measured reflections	l = −18→19

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.031	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.075	H-atom parameters constrained
S = 1.04	w = 1/[σ^2(Fo^2) + (0.0349P)^2 + 5.287P] where P = (Fo^2 + 2Fc^2)/3
9306 reflections	(Δ/σ)max = 0.005
415 parameters	Δρmax = 2.74 e Å^−3
0 restraints	Δρmin = −1.24 e Å^−3

Special details

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. The data collection covered over a hemisphere of reciprocal space by a combination of three sets of exposures; each set had a different φ angle (0, 88 and 180°) for the crystal and each exposure of 20 s covered 0.3° in ω. The crystal-to-detector distance was 4 cm and the detector swing angle was -35°. Coverage of the unique set is over 99% complete. Crystal decay was monitored by repeating fifty initial frames at the end of data collection and analysing the duplicate reflections, and was found to be negligible. 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 (Ų)

	x	y	z	Uiso*/Ueq
Hg1	0.837720 (15)	1.000869 (11)	0.454370 (11)	0.01580 (5)
Hg2	0.882905 (15)	0.432709 (12)	−0.023403 (11)	0.01669 (5)
P1	0.84419 (10)	0.83915 (8)	0.39938 (7)	0.01143 (19)
P2	0.82895 (10)	0.32308 (8)	0.10123 (7)	0.0139 (2)
Cl1	0.65861 (11)	1.15815 (8)	0.50306 (8)	0.0240 (2)
Cl2	1.03322 (10)	1.06962 (8)	0.39233 (7)	0.01813 (19)
Cl3	0.85594 (10)	0.60619 (8)	0.05990 (8)	0.0215 (2)
Cl4	0.84656 (15)	0.49604 (10)	−0.17816 (9)	0.0370 (3)
C1	1.0057 (4)	0.7737 (3)	0.3271 (3)	0.0123 (7)
H1	0.9992	0.7134	0.2970	0.015*
C2	1.0413 (4)	0.8461 (3)	0.2502 (3)	0.0172 (8)
H2A	0.9724	0.8679	0.2084	0.021*
H2B	1.0420	0.9084	0.2788	0.021*
C3	1.1777 (4)	0.7928 (4)	0.1935 (3)	0.0189 (8)
H3A	1.2005	0.8417	0.1461	0.023*
H3B	1.1744	0.7342	0.1602	0.023*
C4	1.2858 (4)	0.7536 (4)	0.2560 (3)	0.0228 (9)
H4A	1.3726	0.7165	0.2178	0.027*
H4B	1.2950	0.8129	0.2846	0.027*
C5	1.2516 (4)	0.6820 (4)	0.3325 (3)	0.0201 (9)
H5A	1.3208	0.6607	0.3740	0.024*
H5B	1.2515	0.6193	0.3041	0.024*
C6	1.1153 (4)	0.7340 (3)	0.3899 (3)	0.0154 (8)
H6A	1.1182	0.7924	0.4238	0.018*
H6B	1.0935	0.6843	0.4368	0.018*
C11	0.8245 (4)	0.7568 (3)	0.5014 (3)	0.0139 (7)
H11	0.9018	0.7459	0.5353	0.017*
C12	0.8295 (4)	0.6506 (3)	0.4751 (3)	0.0159 (8)
H12A	0.9164	0.6155	0.4361	0.019*
H12B	0.7575	0.6587	0.4379	0.019*
C13	0.8121 (5)	0.5843 (3)	0.5624 (3)	0.0216 (9)
H13A	0.8114	0.5173	0.5436	0.026*
H13B	0.8885	0.5707	0.5967	0.026*
C14	0.6822 (5)	0.6381 (4)	0.6262 (3)	0.0234 (9)
H14A	0.6740	0.5950	0.6829	0.028*
H14B	0.6053	0.6473	0.5935	0.028*
C15	0.6791 (5)	0.7429 (4)	0.6541 (3)	0.0242 (9)
H15A	0.7516	0.7331	0.6913	0.029*
H15B	0.5926	0.7778	0.6938	0.029*
C16	0.6968 (4)	0.8108 (3)	0.5686 (3)	0.0187 (8)
H16A	0.7009	0.8760	0.5891	0.022*
H16B	0.6184	0.8278	0.5357	0.022*
C21	0.7024 (4)	0.8535 (3)	0.3375 (3)	0.0140 (7)
H21	0.6409	0.8253	0.3817	0.017*
C22	0.7387 (4)	0.7899 (3)	0.2490 (3)	0.0213 (9)
H22A	0.7954	0.8168	0.2005	0.026*
H22B	0.7904	0.7173	0.2630	0.026*
C23	0.6121 (4)	0.7955 (3)	0.2130 (3)	0.0226 (9)
H23A	0.5601	0.7626	0.2593	0.027*
H23B	0.6369	0.7567	0.1542	0.027*
C24	0.5253 (4)	0.9063 (3)	0.1949 (3)	0.0190 (8)
H24A	0.5729	0.9367	0.1430	0.023*
H24B	0.4410	0.9070	0.1760	0.023*
C25	0.4930 (4)	0.9703 (3)	0.2811 (3)	0.0189 (8)
H25A	0.4352	0.9452	0.3303	0.023*
H25B	0.4424	1.0428	0.2659	0.023*
C26	0.6192 (4)	0.9656 (3)	0.3185 (3)	0.0194 (8)
H26A	0.5940	1.0049	0.3769	0.023*
H26B	0.6730	0.9972	0.2722	0.023*
C31	0.7880 (4)	0.3848 (3)	0.2146 (3)	0.0172 (8)
H31	0.8626	0.4108	0.2185	0.021*
C32	0.6595 (4)	0.4800 (3)	0.2239 (3)	0.0194 (8)
H32A	0.6626	0.5266	0.1691	0.023*
H32B	0.5806	0.4585	0.2262	0.023*
C33	0.6472 (5)	0.5363 (4)	0.3133 (3)	0.0249 (10)
H33A	0.7227	0.5624	0.3085	0.030*
H33B	0.5629	0.5962	0.3204	0.030*
C34	0.6478 (5)	0.4659 (4)	0.3987 (3)	0.0257 (10)
H34A	0.5666	0.4462	0.4076	0.031*
H34B	0.6453	0.5033	0.4547	0.031*
C35	0.7715 (5)	0.3691 (4)	0.3886 (3)	0.0249 (10)
H35A	0.7662	0.3231	0.4436	0.030*
H35B	0.8523	0.3881	0.3867	0.030*
C36	0.7835 (5)	0.3124 (3)	0.2998 (3)	0.0230 (9)
H36A	0.7059	0.2890	0.3033	0.028*
H36B	0.8661	0.2510	0.2935	0.028*
C41	0.9729 (4)	0.2039 (3)	0.1063 (3)	0.0155 (8)
H41	0.9421	0.1545	0.1499	0.019*
C42	1.0868 (4)	0.2230 (3)	0.1452 (3)	0.0169 (8)
H42A	1.1161	0.2746	0.1054	0.020*
H42B	1.0539	0.2503	0.2092	0.020*
C43	1.2047 (4)	0.1226 (3)	0.1473 (3)	0.0200 (9)
H43A	1.1774	0.0737	0.1923	0.024*
H43B	1.2791	0.1363	0.1689	0.024*
C44	1.2533 (4)	0.0740 (4)	0.0510 (3)	0.0224 (9)
H44A	1.2876	0.1203	0.0070	0.027*
H44B	1.3277	0.0080	0.0552	0.027*
C45	1.1401 (5)	0.0546 (3)	0.0140 (3)	0.0229 (9)
H45A	1.1106	0.0039	0.0551	0.028*
H45B	1.1726	0.0258	−0.0494	0.028*
C46	1.0222 (4)	0.1549 (3)	0.0105 (3)	0.0192 (8)
H46A	1.0501	0.2035	−0.0347	0.023*
H46B	0.9483	0.1409	−0.0114	0.023*
C51	0.6951 (4)	0.2845 (3)	0.0705 (3)	0.0169 (8)
H51	0.7375	0.2403	0.0144	0.020*
C52	0.6421 (4)	0.2164 (3)	0.1427 (3)	0.0193 (9)
H52A	0.7179	0.1575	0.1609	0.023*
H52B	0.5935	0.2566	0.1993	0.023*
C53	0.5481 (4)	0.1771 (3)	0.1014 (4)	0.0249 (10)
H53A	0.5992	0.1321	0.0481	0.030*
H53B	0.5112	0.1354	0.1492	0.030*
C54	0.4339 (4)	0.2652 (3)	0.0683 (3)	0.0209 (9)
H54A	0.3776	0.3064	0.1226	0.025*
H54B	0.3773	0.2371	0.0393	0.025*
C55	0.4862 (5)	0.3341 (4)	−0.0021 (3)	0.0270 (10)
H55A	0.4097	0.3930	−0.0197	0.032*
H55B	0.5342	0.2948	−0.0593	0.032*
C56	0.5806 (5)	0.3744 (4)	0.0376 (4)	0.0273 (11)
H56A	0.5305	0.4199	0.0908	0.033*
H56B	0.6176	0.4154	−0.0110	0.033*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Hg1	0.01449 (8)	0.01486 (8)	0.02000 (8)	−0.00691 (6)	−0.00307 (6)	−0.00206 (6)
Hg2	0.01274 (8)	0.01806 (9)	0.02208 (9)	−0.00824 (6)	−0.00570 (6)	0.00385 (6)
P1	0.0072 (4)	0.0135 (5)	0.0142 (4)	−0.0039 (4)	−0.0022 (3)	−0.0011 (4)
P2	0.0092 (5)	0.0152 (5)	0.0186 (5)	−0.0046 (4)	−0.0052 (4)	0.0016 (4)
Cl1	0.0157 (5)	0.0198 (5)	0.0349 (6)	−0.0030 (4)	−0.0038 (4)	−0.0055 (4)
Cl2	0.0183 (5)	0.0223 (5)	0.0180 (4)	−0.0121 (4)	−0.0043 (4)	0.0029 (4)
Cl3	0.0149 (5)	0.0212 (5)	0.0283 (5)	−0.0080 (4)	0.0043 (4)	−0.0085 (4)
Cl4	0.0495 (8)	0.0361 (7)	0.0258 (6)	−0.0121 (6)	−0.0147 (5)	0.0056 (5)
C1	0.0070 (17)	0.0156 (18)	0.0138 (17)	−0.0034 (14)	0.0001 (14)	−0.0039 (14)
C2	0.014 (2)	0.022 (2)	0.0171 (19)	−0.0079 (17)	−0.0012 (15)	−0.0008 (16)
C3	0.018 (2)	0.029 (2)	0.0128 (18)	−0.0114 (18)	−0.0008 (15)	−0.0024 (16)
C4	0.011 (2)	0.039 (3)	0.019 (2)	−0.0098 (19)	0.0012 (16)	−0.0056 (19)
C5	0.0097 (19)	0.032 (2)	0.0172 (19)	−0.0053 (17)	−0.0035 (15)	−0.0003 (17)
C6	0.0093 (18)	0.023 (2)	0.0148 (18)	−0.0052 (16)	−0.0041 (14)	−0.0008 (16)
C11	0.0122 (19)	0.0158 (19)	0.0144 (18)	−0.0062 (15)	−0.0014 (14)	0.0006 (15)
C12	0.016 (2)	0.0145 (19)	0.0175 (19)	−0.0054 (16)	−0.0027 (15)	−0.0014 (15)
C13	0.024 (2)	0.019 (2)	0.025 (2)	−0.0086 (18)	−0.0101 (18)	0.0051 (17)
C14	0.026 (2)	0.025 (2)	0.024 (2)	−0.0150 (19)	−0.0047 (18)	0.0051 (18)
C15	0.025 (2)	0.029 (2)	0.018 (2)	−0.013 (2)	0.0041 (17)	0.0001 (18)
C16	0.018 (2)	0.018 (2)	0.019 (2)	−0.0080 (17)	0.0058 (16)	−0.0043 (16)
C21	0.0096 (18)	0.0151 (19)	0.0181 (19)	−0.0052 (15)	−0.0032 (14)	0.0019 (15)
C22	0.0083 (19)	0.023 (2)	0.030 (2)	0.0015 (16)	−0.0062 (16)	−0.0122 (18)
C23	0.016 (2)	0.022 (2)	0.033 (2)	−0.0056 (17)	−0.0105 (18)	−0.0103 (18)
C24	0.015 (2)	0.022 (2)	0.021 (2)	−0.0066 (17)	−0.0062 (16)	0.0023 (17)
C25	0.0120 (19)	0.017 (2)	0.023 (2)	0.0012 (16)	−0.0065 (16)	0.0002 (16)
C26	0.016 (2)	0.018 (2)	0.023 (2)	−0.0014 (16)	−0.0079 (17)	−0.0022 (16)
C31	0.014 (2)	0.017 (2)	0.020 (2)	−0.0044 (16)	−0.0051 (16)	−0.0016 (16)
C32	0.013 (2)	0.020 (2)	0.023 (2)	−0.0032 (16)	−0.0028 (16)	0.0034 (17)
C33	0.019 (2)	0.024 (2)	0.030 (2)	−0.0052 (18)	−0.0002 (18)	−0.0084 (19)
C34	0.024 (2)	0.033 (3)	0.025 (2)	−0.015 (2)	−0.0010 (18)	−0.0073 (19)
C35	0.026 (2)	0.031 (2)	0.019 (2)	−0.010 (2)	−0.0083 (18)	−0.0004 (18)
C36	0.026 (2)	0.021 (2)	0.021 (2)	−0.0057 (19)	−0.0058 (18)	−0.0001 (17)
C41	0.0128 (19)	0.0149 (19)	0.0194 (19)	−0.0047 (15)	−0.0051 (15)	0.0013 (15)
C42	0.0129 (19)	0.022 (2)	0.0167 (19)	−0.0040 (16)	−0.0078 (15)	−0.0008 (16)
C43	0.012 (2)	0.026 (2)	0.021 (2)	−0.0045 (17)	−0.0074 (16)	0.0034 (17)
C44	0.014 (2)	0.026 (2)	0.023 (2)	−0.0011 (17)	−0.0027 (17)	−0.0030 (18)
C45	0.022 (2)	0.017 (2)	0.028 (2)	−0.0021 (17)	−0.0098 (18)	−0.0033 (18)
C46	0.014 (2)	0.020 (2)	0.024 (2)	−0.0025 (16)	−0.0089 (16)	−0.0009 (17)
C51	0.0129 (19)	0.020 (2)	0.020 (2)	−0.0084 (16)	−0.0046 (15)	0.0029 (16)
C52	0.0118 (19)	0.023 (2)	0.026 (2)	−0.0099 (17)	−0.0053 (16)	0.0079 (17)
C53	0.015 (2)	0.015 (2)	0.047 (3)	−0.0070 (17)	−0.007 (2)	0.0015 (19)
C54	0.013 (2)	0.025 (2)	0.027 (2)	−0.0084 (17)	−0.0064 (17)	0.0010 (18)
C55	0.017 (2)	0.042 (3)	0.028 (2)	−0.016 (2)	−0.0131 (18)	0.010 (2)
C56	0.017 (2)	0.027 (2)	0.044 (3)	−0.0149 (19)	−0.015 (2)	0.019 (2)

Geometric parameters (Å, º)

Hg1—P1	2.4102 (10)	C24—C25	1.510 (6)
Hg1—Cl1	2.4108 (11)	C24—H24A	0.9900
Hg1—Cl2	2.6049 (10)	C24—H24B	0.9900
Hg1—Cl2^i	2.7614 (10)	C25—C26	1.528 (6)
Hg2—Cl4	2.3950 (12)	C25—H25A	0.9900
Hg2—P2	2.4004 (10)	C25—H25B	0.9900
Hg2—Cl3^ii	2.6412 (10)	C26—H26A	0.9900
Hg2—Cl3	2.6765 (10)	C26—H26B	0.9900
P1—C11	1.830 (4)	C31—C32	1.538 (6)
P1—C1	1.837 (4)	C31—C36	1.539 (6)
P1—C21	1.849 (4)	C31—H31	1.0000
P2—C31	1.828 (4)	C32—C33	1.527 (6)
P2—C51	1.834 (4)	C32—H32A	0.9900
P2—C41	1.837 (4)	C32—H32B	0.9900
Cl2—Hg1^i	2.7614 (10)	C33—C34	1.519 (7)
Cl3—Hg2^ii	2.6412 (10)	C33—H33A	0.9900
C1—C2	1.534 (6)	C33—H33B	0.9900
C1—C6	1.540 (5)	C34—C35	1.521 (7)
C1—H1	1.0000	C34—H34A	0.9900
C2—C3	1.520 (6)	C34—H34B	0.9900
C2—H2A	0.9900	C35—C36	1.525 (6)
C2—H2B	0.9900	C35—H35A	0.9900
C3—C4	1.524 (6)	C35—H35B	0.9900
C3—H3A	0.9900	C36—H36A	0.9900
C3—H3B	0.9900	C36—H36B	0.9900
C4—C5	1.518 (6)	C41—C46	1.523 (6)
C4—H4A	0.9900	C41—C42	1.543 (6)
C4—H4B	0.9900	C41—H41	1.0000
C5—C6	1.519 (6)	C42—C43	1.525 (6)
C5—H5A	0.9900	C42—H42A	0.9900
C5—H5B	0.9900	C42—H42B	0.9900
C6—H6A	0.9900	C43—C44	1.527 (6)
C6—H6B	0.9900	C43—H43A	0.9900
C11—C16	1.530 (6)	C43—H43B	0.9900
C11—C12	1.530 (6)	C44—C45	1.525 (6)
C11—H11	1.0000	C44—H44A	0.9900
C12—C13	1.534 (6)	C44—H44B	0.9900
C12—H12A	0.9900	C45—C46	1.526 (6)
C12—H12B	0.9900	C45—H45A	0.9900
C13—C14	1.519 (7)	C45—H45B	0.9900
C13—H13A	0.9900	C46—H46A	0.9900
C13—H13B	0.9900	C46—H46B	0.9900
C14—C15	1.525 (6)	C51—C52	1.528 (6)
C14—H14A	0.9900	C51—C56	1.530 (6)
C14—H14B	0.9900	C51—H51	1.0000
C15—C16	1.526 (6)	C52—C53	1.525 (6)
C15—H15A	0.9900	C52—H52A	0.9900
C15—H15B	0.9900	C52—H52B	0.9900
C16—H16A	0.9900	C53—C54	1.517 (6)
C16—H16B	0.9900	C53—H53A	0.9900
C21—C22	1.527 (6)	C53—H53B	0.9900
C21—C26	1.530 (6)	C54—C55	1.518 (6)
C21—H21	1.0000	C54—H54A	0.9900
C22—C23	1.519 (6)	C54—H54B	0.9900
C22—H22A	0.9900	C55—C56	1.526 (6)
C22—H22B	0.9900	C55—H55A	0.9900
C23—C24	1.523 (6)	C55—H55B	0.9900
C23—H23A	0.9900	C56—H56A	0.9900
C23—H23B	0.9900	C56—H56B	0.9900
P1—Hg1—Cl1	133.54 (4)	H24A—C24—H24B	108.0
P1—Hg1—Cl2	119.53 (3)	C24—C25—C26	112.0 (4)
Cl1—Hg1—Cl2	101.19 (4)	C24—C25—H25A	109.2
P1—Hg1—Cl2^i	99.41 (3)	C26—C25—H25A	109.2
Cl1—Hg1—Cl2^i	105.46 (4)	C24—C25—H25B	109.2
Cl2—Hg1—Cl2^i	85.57 (3)	C26—C25—H25B	109.2
Cl4—Hg2—P2	144.18 (4)	H25A—C25—H25B	107.9
Cl4—Hg2—Cl3^ii	93.95 (4)	C25—C26—C21	109.9 (3)
P2—Hg2—Cl3^ii	110.82 (3)	C25—C26—H26A	109.7
Cl4—Hg2—Cl3	100.92 (4)	C21—C26—H26A	109.7
P2—Hg2—Cl3	104.84 (4)	C25—C26—H26B	109.7
Cl3^ii—Hg2—Cl3	89.02 (3)	C21—C26—H26B	109.7
C11—P1—C1	108.23 (18)	H26A—C26—H26B	108.2
C11—P1—C21	105.30 (18)	C32—C31—C36	109.9 (4)
C1—P1—C21	111.39 (18)	C32—C31—P2	113.5 (3)
C11—P1—Hg1	107.95 (13)	C36—C31—P2	115.0 (3)
C1—P1—Hg1	111.09 (13)	C32—C31—H31	105.9
C21—P1—Hg1	112.56 (13)	C36—C31—H31	105.8
C31—P2—C51	114.1 (2)	P2—C31—H31	105.9
C31—P2—C41	107.88 (19)	C33—C32—C31	109.4 (4)
C51—P2—C41	106.09 (19)	C33—C32—H32A	109.8
C31—P2—Hg2	111.74 (14)	C31—C32—H32A	109.8
C51—P2—Hg2	107.11 (14)	C33—C32—H32B	109.8
C41—P2—Hg2	109.69 (14)	C31—C32—H32B	109.8
Hg1—Cl2—Hg1^i	94.43 (3)	H32A—C32—H32B	108.2
Hg2^ii—Cl3—Hg2	90.98 (3)	C34—C33—C32	111.3 (4)
C2—C1—C6	110.5 (3)	C34—C33—H33A	109.4
C2—C1—P1	111.1 (3)	C32—C33—H33A	109.4
C6—C1—P1	109.2 (3)	C34—C33—H33B	109.4
C2—C1—H1	108.7	C32—C33—H33B	109.4
C6—C1—H1	108.6	H33A—C33—H33B	108.0
P1—C1—H1	108.7	C33—C34—C35	111.4 (4)
C3—C2—C1	110.7 (3)	C33—C34—H34A	109.3
C3—C2—H2A	109.5	C35—C34—H34A	109.3
C1—C2—H2A	109.5	C33—C34—H34B	109.3
C3—C2—H2B	109.5	C35—C34—H34B	109.3
C1—C2—H2B	109.5	H34A—C34—H34B	108.0
H2A—C2—H2B	108.1	C34—C35—C36	111.0 (4)
C2—C3—C4	111.1 (3)	C34—C35—H35A	109.4
C2—C3—H3A	109.4	C36—C35—H35A	109.4
C4—C3—H3A	109.4	C34—C35—H35B	109.4
C2—C3—H3B	109.4	C36—C35—H35B	109.4
C4—C3—H3B	109.4	H35A—C35—H35B	108.0
H3A—C3—H3B	108.0	C35—C36—C31	109.4 (4)
C5—C4—C3	111.1 (4)	C35—C36—H36A	109.8
C5—C4—H4A	109.4	C31—C36—H36A	109.8
C3—C4—H4A	109.4	C35—C36—H36B	109.8
C5—C4—H4B	109.4	C31—C36—H36B	109.8
C3—C4—H4B	109.4	H36A—C36—H36B	108.2
H4A—C4—H4B	108.0	C46—C41—C42	111.3 (3)
C4—C5—C6	111.3 (4)	C46—C41—P2	110.5 (3)
C4—C5—H5A	109.4	C42—C41—P2	111.6 (3)
C6—C5—H5A	109.4	C46—C41—H41	107.8
C4—C5—H5B	109.4	C42—C41—H41	107.8
C6—C5—H5B	109.4	P2—C41—H41	107.8
H5A—C5—H5B	108.0	C43—C42—C41	109.9 (3)
C5—C6—C1	111.0 (3)	C43—C42—H42A	109.7
C5—C6—H6A	109.4	C41—C42—H42A	109.7
C1—C6—H6A	109.4	C43—C42—H42B	109.7
C5—C6—H6B	109.4	C41—C42—H42B	109.7
C1—C6—H6B	109.4	H42A—C42—H42B	108.2
H6A—C6—H6B	108.0	C42—C43—C44	111.5 (3)
C16—C11—C12	111.6 (3)	C42—C43—H43A	109.3
C16—C11—P1	110.8 (3)	C44—C43—H43A	109.3
C12—C11—P1	112.7 (3)	C42—C43—H43B	109.3
C16—C11—H11	107.1	C44—C43—H43B	109.3
C12—C11—H11	107.2	H43A—C43—H43B	108.0
P1—C11—H11	107.1	C45—C44—C43	110.9 (4)
C11—C12—C13	111.1 (3)	C45—C44—H44A	109.5
C11—C12—H12A	109.4	C43—C44—H44A	109.5
C13—C12—H12A	109.4	C45—C44—H44B	109.5
C11—C12—H12B	109.4	C43—C44—H44B	109.5
C13—C12—H12B	109.4	H44A—C44—H44B	108.1
H12A—C12—H12B	108.0	C44—C45—C46	110.2 (4)
C14—C13—C12	110.8 (4)	C44—C45—H45A	109.6
C14—C13—H13A	109.5	C46—C45—H45A	109.6
C12—C13—H13A	109.5	C44—C45—H45B	109.6
C14—C13—H13B	109.5	C46—C45—H45B	109.6
C12—C13—H13B	109.5	H45A—C45—H45B	108.1
H13A—C13—H13B	108.1	C41—C46—C45	111.1 (3)
C13—C14—C15	110.5 (4)	C41—C46—H46A	109.4
C13—C14—H14A	109.6	C45—C46—H46A	109.4
C15—C14—H14A	109.6	C41—C46—H46B	109.4
C13—C14—H14B	109.6	C45—C46—H46B	109.4
C15—C14—H14B	109.6	H46A—C46—H46B	108.0
H14A—C14—H14B	108.1	C52—C51—C56	111.4 (4)
C14—C15—C16	111.5 (4)	C52—C51—P2	115.7 (3)
C14—C15—H15A	109.3	C56—C51—P2	113.5 (3)
C16—C15—H15A	109.3	C52—C51—H51	105.0
C14—C15—H15B	109.3	C56—C51—H51	105.0
C16—C15—H15B	109.3	P2—C51—H51	105.0
H15A—C15—H15B	108.0	C53—C52—C51	109.6 (4)
C15—C16—C11	111.3 (4)	C53—C52—H52A	109.8
C15—C16—H16A	109.4	C51—C52—H52A	109.8
C11—C16—H16A	109.4	C53—C52—H52B	109.8
C15—C16—H16B	109.4	C51—C52—H52B	109.8
C11—C16—H16B	109.4	H52A—C52—H52B	108.2
H16A—C16—H16B	108.0	C54—C53—C52	111.5 (4)
C22—C21—C26	110.9 (3)	C54—C53—H53A	109.3
C22—C21—P1	115.0 (3)	C52—C53—H53A	109.3
C26—C21—P1	113.6 (3)	C54—C53—H53B	109.3
C22—C21—H21	105.4	C52—C53—H53B	109.3
C26—C21—H21	105.5	H53A—C53—H53B	108.0
P1—C21—H21	105.4	C53—C54—C55	111.2 (4)
C23—C22—C21	109.9 (3)	C53—C54—H54A	109.4
C23—C22—H22A	109.7	C55—C54—H54A	109.4
C21—C22—H22A	109.7	C53—C54—H54B	109.4
C23—C22—H22B	109.7	C55—C54—H54B	109.4
C21—C22—H22B	109.7	H54A—C54—H54B	108.0
H22A—C22—H22B	108.2	C54—C55—C56	111.3 (4)
C22—C23—C24	111.8 (4)	C54—C55—H55A	109.4
C22—C23—H23A	109.3	C56—C55—H55A	109.4
C24—C23—H23A	109.3	C54—C55—H55B	109.4
C22—C23—H23B	109.3	C56—C55—H55B	109.4
C24—C23—H23B	109.3	H55A—C55—H55B	108.0
H23A—C23—H23B	107.9	C55—C56—C51	110.2 (4)
C25—C24—C23	111.1 (4)	C55—C56—H56A	109.6
C25—C24—H24A	109.4	C51—C56—H56A	109.6
C23—C24—H24A	109.4	C55—C56—H56B	109.6
C25—C24—H24B	109.4	C51—C56—H56B	109.6
C23—C24—H24B	109.4	H56A—C56—H56B	108.1

Symmetry codes: (i) −x+2, −y+2, −z+1; (ii) −x+2, −y+1, −z.