metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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[1,2-Bis(di­cyclo­hexyl­phosphan­yl)-1,2-dicarba-closo-dodeca­borane-2κ2P,P′]di-μ-chlorido-1:2κ4Cl:Cl-di­chlorido-1κ2Cl-dimercury(II)

aDepartment of Chemistry, University of Science and Technology Beijing, Beijing 100083, People's Republic of China
*Correspondence e-mail: yangliguo116@163.com

(Received 8 March 2014; accepted 19 March 2014; online 22 March 2014)

The title compound, [Hg2Cl4(C26H54B10P2)], was synthesized by the reaction of 1,2-bis­(di­cyclo­hexyl­phosphan­yl)-1,2-dicarba-closo-dodeca­borane with HgCl2. Both HgII atoms show a distorted tetra­hedral coordination geometry, provided by the two bridging chloride anions and the P atoms of the diphosphanyl ligand for one metal atom, and by two bridging and two terminal chloride anions for the other. The five-membered HgP2C2 chelate ring assumes an envelope conformation, with the HgII atom displaced by 0.1650 (5) Å from the mean plane of the other four atoms (r.m.s. deviation = 0.002 Å). In the crystal, B—H⋯Cl interactions link the molecules, forming a supramolecular chain along the a-axis direction.

Related literature

For related structures, see: Su et al. (2008[Su, F., Guo, Q., Dou, J., Li, D. & Wang, D. (2008). Acta Cryst. E64, m134.]); Yang et al. (2011[Yang, L. G., Zhu, C. C., Zhang, D. P., Li, D. C., Wang, D. Q. & Dou, J. M. (2011). Polyhedron, 30, 1469-1477.]); Zhang et al. (2006[Zhang, D.-P., Dou, J.-M., Li, D.-C. & Wang, D.-Q. (2006). Acta Cryst. E62, o418-o419.]). For the synthesis and structure of 1,2-bis­(di­cyclo­hexyl­phosphan­yl)-1,2-dicarba-closo-dodeca­borane, see: Su et al. (2007[Su, F.-F., Dou, J.-M., Li, D.-C. & Wang, D.-Q. (2007). Acta Cryst. E63, o3335.]).

[Scheme 1]

Experimental

Crystal data
  • [Hg2Cl4(C26H54B10P2)]

  • Mr = 1079.71

  • Monoclinic, P 21

  • a = 10.2233 (11) Å

  • b = 16.6581 (18) Å

  • c = 11.7146 (15) Å

  • β = 95.000 (1)°

  • V = 1987.4 (4) Å3

  • Z = 2

  • Mo Kα radiation

  • μ = 8.08 mm−1

  • T = 298 K

  • 0.31 × 0.28 × 0.26 mm

Data collection
  • Bruker SMART1000 CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.188, Tmax = 0.228

  • 10374 measured reflections

  • 6455 independent reflections

  • 5998 reflections with I > 2σ(I)

  • Rint = 0.047

Refinement
  • R[F2 > 2σ(F2)] = 0.049

  • wR(F2) = 0.148

  • S = 1.08

  • 6455 reflections

  • 397 parameters

  • 61 restraints

  • H-atom parameters constrained

  • Δρmax = 1.33 e Å−3

  • Δρmin = −1.45 e Å−3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 2819 Friedel pairs

  • Absolute structure parameter: −0.010 (11)

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
B1—H1⋯Cl3i 1.10 2.71 3.791 (16) 169
Symmetry code: (i) [-x, y+{\script{1\over 2}}, -z+1].

Data collection: SMART (Siemens, 1996[Siemens (1996). SMART and SAINT. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Siemens, 1996[Siemens (1996). SMART and SAINT. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supporting information


Comment top

The synthesis and structure of 1,2-(PCy2)-1,2-C2B10H10 was reported by Su et al. (2007). Since then, only a few complexes of this ligand with Ag(I) have been described (Yang et al., 2011). Here we report the structure of this ligand combined with Hg and chloride ions.

As shown in Fig. 1, the coordination of the Hg1 atom is distorted tetrahedral, formed by two Cl- anions and the P atoms of dicyclohexylphosphanyl-closo-carborane ligand. The coordination of the Hg2 atom is also distorted tetrahedral, formed by four Cl- anions. The two P—Hg bond lengths are slightly longer than the corresponding bond lengths in the complex [Ag2Cl2(C26H30B10P2)2].2CH2Cl2 (2.5052 (14) Å; Zhang et al., 2006). The P—Hg—P angle is slightly larger than the corresponding value of 89.80 (5) Å for the complex [Ag2Cl2(C26H30B10P2)2].2CH2Cl2 (Zhang et al., 2006). The five-memebered chelate ring is formed by the mercury atom, two phosphorus atoms and two carbon atoms of the carborane skeleton. The torsion angle P1—C1—C2—P2 is -0.4 (13)°, viz. it is smaller than that of 10.6 (3)° in the free ligand (Su et al., 2007). The separation between the Hg atoms in the complex molecule is 3.7919 (9) Å.

Related literature top

For related structures, see: Su et al. (2008); Yang et al. (2011); Zhang et al. (2006). For the synthesis and structure of 1,2-bis(dicyclohexylphosphanyl)-1,2-dicarba-closo-dodecaborane, see: Su et al. (2007).

Experimental top

The title compound was synthesized by the reaction of HgCl2 (2 mmol) and 1,2-(PCy2)-1,2-C2B10H10 (1 mmol) in dichloromethane (10 ml) under N2 atmosphere. The mixture was refluxed for 4 h, then a colourless solution formed. Single crystals suitable for X-ray diffraction analysis were obtained by slow evaporation of a dichloromethane-n-hexane (1:3 v:v) solution. Yield 61.7%, m. p. 453–458 K). FTIR (KBr) v (cm-l): 2989, 2966, 2930, 2872 (C—H); 2614, 2602, 2585, 2556 (B—H); 1071 (C—P).

Refinement top

All H atoms were placed geometrically and treated as riding on their parent atoms, with B—H = 1.10 Å, C—H = 0.96 Å, and with Uiso(H) = 1.2Ueq(C, B). The C–C interatomic distances within the cyclohexyl rings were restrained to be similar (SADI restraints with default standard deviations).

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT (Siemens, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The molecular structure of the title compound with 30% probability displacement ellipsoids for non-H atoms. H atoms are omitted for clarity.
[1,2-Bis(dicyclohexylphosphanyl)-1,2-dicarba-closo-dodecaborane-2κ2P,P']di-µ-chlorido-1:2κ4Cl:Cl-dichlorido-1κ2Cl-dimercury(II) top
Crystal data top
[Hg2Cl4(C26H54B10P2)]F(000) = 1036
Mr = 1079.71Dx = 1.804 Mg m3
Monoclinic, P21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ybCell parameters from 7522 reflections
a = 10.2233 (11) Åθ = 2.3–27.2°
b = 16.6581 (18) ŵ = 8.08 mm1
c = 11.7146 (15) ÅT = 298 K
β = 95.000 (1)°Block, yellow
V = 1987.4 (4) Å30.31 × 0.28 × 0.26 mm
Z = 2
Data collection top
Bruker SMART1000 CCD
diffractometer
6455 independent reflections
Radiation source: fine-focus sealed tube5998 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.047
phi and ω scansθmax = 25.0°, θmin = 2.0°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 127
Tmin = 0.188, Tmax = 0.228k = 1918
10374 measured reflectionsl = 1113
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)] = 0.049H-atom parameters constrained
wR(F2) = 0.148 w = 1/[σ2(Fo2) + (0.0892P)2 + 12.4468P]
where P = (Fo2 + 2Fc2)/3
S = 1.08(Δ/σ)max < 0.001
6455 reflectionsΔρmax = 1.33 e Å3
397 parametersΔρmin = 1.45 e Å3
61 restraintsAbsolute structure: Flack (1983), 2819 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.010 (11)
Crystal data top
[Hg2Cl4(C26H54B10P2)]V = 1987.4 (4) Å3
Mr = 1079.71Z = 2
Monoclinic, P21Mo Kα radiation
a = 10.2233 (11) ŵ = 8.08 mm1
b = 16.6581 (18) ÅT = 298 K
c = 11.7146 (15) Å0.31 × 0.28 × 0.26 mm
β = 95.000 (1)°
Data collection top
Bruker SMART1000 CCD
diffractometer
6455 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
5998 reflections with I > 2σ(I)
Tmin = 0.188, Tmax = 0.228Rint = 0.047
10374 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.049H-atom parameters constrained
wR(F2) = 0.148 w = 1/[σ2(Fo2) + (0.0892P)2 + 12.4468P]
where P = (Fo2 + 2Fc2)/3
S = 1.08Δρmax = 1.33 e Å3
6455 reflectionsΔρmin = 1.45 e Å3
397 parametersAbsolute structure: Flack (1983), 2819 Friedel pairs
61 restraintsAbsolute structure parameter: 0.010 (11)
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Hg10.21194 (5)0.33141 (3)0.42706 (4)0.03789 (15)
Hg20.19581 (7)0.18076 (4)0.66809 (6)0.0600 (2)
P10.3218 (3)0.4632 (2)0.4754 (3)0.0306 (7)
P20.1709 (3)0.36694 (19)0.2179 (3)0.0280 (6)
Cl10.3605 (4)0.2141 (2)0.4836 (4)0.0531 (10)
Cl20.0243 (3)0.2714 (2)0.5197 (3)0.0506 (9)
Cl30.1506 (5)0.0496 (3)0.6128 (6)0.0807 (16)
Cl40.2425 (7)0.2817 (4)0.8022 (5)0.0906 (17)
B10.1821 (15)0.5456 (9)0.2675 (14)0.037 (3)
H10.08940.53850.30750.044*
B20.3086 (16)0.6146 (10)0.3213 (16)0.045 (4)
H20.29530.65490.39380.054*
B30.4616 (15)0.5675 (10)0.3004 (15)0.041 (4)
H30.54950.57730.35970.049*
B40.4220 (13)0.4721 (10)0.2368 (14)0.038 (3)
H40.48110.41830.25890.046*
B50.3457 (15)0.4900 (11)0.0961 (14)0.041 (4)
H50.35940.44910.02440.050*
B60.1937 (16)0.5384 (10)0.1145 (12)0.036 (3)
H60.10610.53040.05420.044*
B70.2274 (19)0.6321 (11)0.1834 (17)0.051 (4)
H70.16150.68390.16850.062*
B80.4004 (19)0.6428 (12)0.2007 (17)0.054 (5)
H80.44800.70180.19550.064*
B90.4747 (17)0.5544 (12)0.1493 (16)0.051 (4)
H90.56990.55480.11210.061*
B100.3297 (19)0.5969 (12)0.0774 (15)0.050 (4)
H100.33080.62610.00680.060*
C10.3301 (12)0.5145 (8)0.3336 (12)0.036 (3)
C20.2549 (12)0.4663 (8)0.2035 (12)0.035 (3)
C30.0013 (10)0.3873 (8)0.1601 (9)0.031 (3)
H3A0.01590.44460.17270.037*
C40.0280 (12)0.3739 (10)0.0312 (10)0.048 (4)
H4A0.01840.31740.01380.057*
H4B0.03530.40380.00900.057*
C50.1670 (12)0.4016 (13)0.0093 (15)0.069 (5)
H5A0.17440.45900.00320.083*
H5B0.18380.39160.09080.083*
C60.2687 (15)0.3577 (13)0.0549 (12)0.070 (6)
H6A0.35550.37840.03110.084*
H6B0.26750.30100.03610.084*
C70.2404 (12)0.3684 (10)0.1837 (12)0.049 (4)
H7A0.30290.33680.22240.059*
H7B0.25300.42430.20290.059*
C80.1014 (10)0.3431 (9)0.2273 (11)0.038 (3)
H8A0.09160.28560.21810.046*
H8B0.08570.35560.30820.046*
C90.2420 (10)0.2883 (8)0.1285 (10)0.033 (3)
H9A0.22720.30290.04730.040*
C100.1644 (16)0.2125 (8)0.1513 (16)0.055 (4)
H10A0.07260.22120.12590.066*
H10B0.17040.20250.23310.066*
C110.2136 (16)0.1385 (10)0.0905 (18)0.068 (5)
H11A0.16420.09160.11030.081*
H11B0.20070.14590.00810.081*
C120.3596 (16)0.1260 (10)0.1268 (19)0.074 (6)
H12A0.37190.11580.20860.089*
H12B0.39180.07990.08730.089*
C130.4365 (15)0.2009 (8)0.0977 (16)0.057 (4)
H13A0.52920.19250.11950.069*
H13B0.42550.21010.01570.069*
C140.3894 (12)0.2744 (9)0.1599 (13)0.047 (3)
H14A0.43840.32120.13910.056*
H14B0.40540.26660.24200.056*
C150.2226 (12)0.5304 (8)0.5569 (9)0.038 (3)
H150.16700.56200.50130.045*
C160.3044 (15)0.5906 (9)0.6347 (13)0.051 (4)
H16A0.36560.56120.68710.061*
H16B0.35480.62470.58770.061*
C170.2156 (17)0.6432 (11)0.7037 (14)0.068 (5)
H17A0.26940.67890.75350.081*
H17B0.15890.67570.65170.081*
C180.1312 (17)0.5903 (11)0.7764 (15)0.073 (6)
H18A0.18770.55870.82980.087*
H18B0.07650.62400.82010.087*
C190.0442 (16)0.5343 (12)0.6979 (15)0.065 (5)
H19A0.00830.50070.74390.078*
H19B0.01480.56590.64650.078*
C200.1303 (16)0.4813 (10)0.6281 (14)0.053 (4)
H20A0.07420.44790.57680.064*
H20B0.18270.44620.67980.064*
C210.4896 (11)0.4527 (8)0.5507 (9)0.036 (3)
H210.52410.50620.57080.043*
C220.4702 (13)0.4067 (9)0.6606 (10)0.043 (3)
H22A0.43190.35470.64110.052*
H22B0.40930.43590.70420.052*
C230.5996 (14)0.3947 (12)0.7349 (13)0.060 (5)
H23A0.63480.44630.76060.071*
H23B0.58430.36300.80190.071*
C240.6978 (15)0.3517 (11)0.6648 (13)0.063 (5)
H24A0.78120.34630.71040.075*
H24B0.66560.29830.64500.075*
C250.7176 (14)0.3982 (12)0.5562 (14)0.063 (5)
H25A0.77980.36980.51290.075*
H25B0.75410.45050.57630.075*
C260.5882 (11)0.4086 (10)0.4818 (13)0.046 (3)
H26A0.55340.35650.45800.055*
H26B0.60300.43920.41370.055*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Hg10.0419 (3)0.0364 (3)0.0351 (3)0.0001 (2)0.00177 (18)0.0050 (2)
Hg20.0627 (4)0.0638 (4)0.0535 (4)0.0074 (3)0.0045 (3)0.0143 (3)
P10.0287 (16)0.0342 (18)0.0284 (16)0.0006 (13)0.0008 (13)0.0008 (12)
P20.0224 (13)0.0296 (15)0.0315 (17)0.0018 (11)0.0001 (12)0.0029 (12)
Cl10.049 (2)0.047 (2)0.064 (3)0.0168 (17)0.0111 (18)0.0181 (18)
Cl20.0351 (16)0.061 (2)0.056 (2)0.0028 (15)0.0052 (15)0.0203 (17)
Cl30.052 (2)0.055 (3)0.137 (5)0.001 (2)0.024 (3)0.014 (3)
Cl40.125 (5)0.095 (4)0.052 (3)0.002 (4)0.007 (3)0.002 (3)
B10.035 (7)0.031 (8)0.044 (9)0.002 (6)0.002 (6)0.003 (6)
B20.041 (8)0.034 (8)0.058 (11)0.003 (6)0.012 (8)0.000 (7)
B30.035 (7)0.043 (9)0.044 (9)0.011 (6)0.001 (6)0.011 (7)
B40.024 (6)0.042 (8)0.047 (9)0.005 (6)0.003 (6)0.004 (7)
B50.037 (8)0.052 (10)0.035 (8)0.015 (7)0.002 (6)0.006 (7)
B60.046 (8)0.046 (9)0.016 (6)0.002 (7)0.006 (6)0.009 (6)
B70.053 (9)0.039 (9)0.059 (11)0.002 (8)0.015 (8)0.007 (8)
B80.053 (10)0.052 (11)0.055 (11)0.019 (8)0.003 (8)0.019 (8)
B90.041 (8)0.064 (12)0.048 (10)0.022 (8)0.006 (7)0.002 (8)
B100.054 (10)0.056 (11)0.039 (10)0.019 (8)0.001 (8)0.018 (8)
C10.028 (6)0.033 (7)0.046 (8)0.001 (5)0.004 (5)0.004 (5)
C20.029 (6)0.033 (7)0.042 (8)0.004 (5)0.005 (5)0.002 (5)
C30.025 (5)0.044 (7)0.021 (6)0.005 (5)0.011 (5)0.002 (5)
C40.038 (7)0.070 (10)0.034 (8)0.008 (7)0.002 (6)0.001 (7)
C50.050 (9)0.098 (15)0.053 (11)0.005 (9)0.027 (8)0.017 (10)
C60.036 (8)0.099 (16)0.072 (13)0.006 (8)0.013 (8)0.002 (10)
C70.027 (6)0.058 (9)0.063 (10)0.006 (6)0.002 (6)0.007 (7)
C80.029 (5)0.048 (9)0.038 (7)0.002 (6)0.000 (5)0.010 (6)
C90.038 (6)0.051 (8)0.011 (5)0.001 (6)0.009 (5)0.007 (5)
C100.053 (9)0.046 (9)0.069 (11)0.014 (7)0.021 (8)0.028 (8)
C110.084 (13)0.036 (9)0.087 (14)0.002 (9)0.025 (11)0.023 (9)
C120.091 (14)0.047 (11)0.088 (15)0.027 (10)0.030 (12)0.011 (9)
C130.049 (8)0.055 (10)0.070 (12)0.017 (7)0.016 (8)0.020 (8)
C140.038 (7)0.057 (10)0.045 (8)0.012 (6)0.004 (6)0.010 (7)
C150.050 (7)0.052 (8)0.011 (5)0.010 (6)0.001 (5)0.010 (5)
C160.058 (9)0.049 (9)0.043 (9)0.008 (7)0.005 (7)0.015 (7)
C170.077 (12)0.065 (11)0.057 (11)0.028 (9)0.019 (9)0.028 (9)
C180.078 (12)0.091 (15)0.048 (10)0.034 (11)0.002 (9)0.025 (10)
C190.058 (10)0.089 (14)0.050 (10)0.011 (9)0.017 (8)0.017 (9)
C200.062 (9)0.054 (9)0.047 (9)0.012 (8)0.030 (8)0.004 (7)
C210.030 (6)0.048 (8)0.028 (7)0.003 (5)0.006 (5)0.004 (5)
C220.049 (8)0.051 (9)0.027 (7)0.005 (6)0.009 (6)0.005 (6)
C230.067 (10)0.070 (11)0.037 (9)0.011 (9)0.023 (8)0.004 (7)
C240.050 (9)0.064 (12)0.072 (12)0.021 (7)0.013 (8)0.009 (8)
C250.036 (8)0.068 (12)0.082 (13)0.014 (8)0.006 (8)0.011 (10)
C260.037 (7)0.055 (9)0.046 (9)0.003 (6)0.000 (6)0.013 (7)
Geometric parameters (Å, º) top
Hg1—Cl22.494 (3)C5—H5A0.9700
Hg1—P12.508 (3)C5—H5B0.9700
Hg1—P22.520 (3)C6—C71.521 (14)
Hg1—Cl12.528 (4)C6—H6A0.9700
Hg2—Cl32.313 (6)C6—H6B0.9700
Hg2—Cl42.322 (6)C7—C81.528 (12)
Hg2—Cl22.802 (4)C7—H7A0.9700
Hg2—Cl12.906 (4)C7—H7B0.9700
P1—C151.834 (13)C8—H8A0.9700
P1—C211.867 (12)C8—H8B0.9700
P1—C11.876 (14)C9—C101.528 (13)
P2—C31.862 (11)C9—C141.537 (13)
P2—C91.864 (13)C9—H9A0.9800
P2—C21.878 (13)C10—C111.531 (13)
B1—C11.718 (19)C10—H10A0.9700
B1—C21.72 (2)C10—H10B0.9700
B1—B21.80 (2)C11—C121.530 (15)
B1—B61.81 (2)C11—H11A0.9700
B1—B71.83 (2)C11—H11B0.9700
B1—H11.1000C12—C131.528 (14)
B2—C11.69 (2)C12—H12A0.9700
B2—B71.77 (2)C12—H12B0.9700
B2—B31.79 (2)C13—C141.523 (13)
B2—B81.82 (3)C13—H13A0.9700
B2—H21.1000C13—H13B0.9700
B3—C11.682 (19)C14—H14A0.9700
B3—B41.79 (2)C14—H14B0.9700
B3—B81.79 (3)C15—C201.547 (13)
B3—B91.80 (2)C15—C161.549 (13)
B3—H31.1000C15—H150.9800
B4—C11.69 (2)C16—C171.541 (14)
B4—C21.722 (18)C16—H16A0.9700
B4—B51.79 (2)C16—H16B0.9700
B4—B91.82 (2)C17—C181.540 (15)
B4—H41.1000C17—H17A0.9700
B5—C21.68 (2)C17—H17B0.9700
B5—B91.77 (2)C18—C191.538 (14)
B5—B61.78 (2)C18—H18A0.9700
B5—B101.80 (3)C18—H18B0.9700
B5—H51.1000C19—C201.531 (13)
B6—C21.676 (19)C19—H19A0.9700
B6—B71.78 (2)C19—H19B0.9700
B6—B101.78 (2)C20—H20A0.9700
B6—H61.1000C20—H20B0.9700
B7—B81.77 (3)C21—C221.526 (13)
B7—B101.79 (3)C21—C261.532 (13)
B7—H71.1000C21—H210.9800
B8—B101.73 (3)C22—C231.532 (13)
B8—B91.79 (3)C22—H22A0.9700
B8—H81.1000C22—H22B0.9700
B9—B101.79 (3)C23—C241.529 (14)
B9—H91.1000C23—H23A0.9700
B10—H101.1000C23—H23B0.9700
C1—C21.832 (19)C24—C251.518 (14)
C3—C41.527 (12)C24—H24A0.9700
C3—C81.533 (12)C24—H24B0.9700
C3—H3A0.9800C25—C261.529 (13)
C4—C51.530 (13)C25—H25A0.9700
C4—H4A0.9700C25—H25B0.9700
C4—H4B0.9700C26—H26A0.9700
C5—C61.523 (14)C26—H26B0.9700
Cl2—Hg1—P1126.79 (13)B5—B10—H10122.6
Cl2—Hg1—P2116.62 (11)B3—C1—B264.0 (9)
P1—Hg1—P292.71 (11)B3—C1—B464.0 (9)
Cl2—Hg1—Cl192.50 (12)B2—C1—B4115.6 (12)
P1—Hg1—Cl1111.75 (14)B3—C1—B1115.3 (11)
P2—Hg1—Cl1118.78 (13)B2—C1—B163.9 (9)
Cl3—Hg2—Cl4153.8 (2)B4—C1—B1110.0 (11)
Cl3—Hg2—Cl2103.68 (18)B3—C1—C2108.9 (10)
Cl4—Hg2—Cl296.33 (19)B2—C1—C2108.7 (10)
Cl3—Hg2—Cl194.97 (17)B4—C1—C258.4 (7)
Cl4—Hg2—Cl1105.48 (19)B1—C1—C257.8 (8)
Cl2—Hg2—Cl178.90 (11)B3—C1—P1122.9 (10)
C15—P1—C21109.8 (5)B2—C1—P1120.7 (10)
C15—P1—C1104.6 (6)B4—C1—P1118.4 (9)
C21—P1—C1110.5 (5)B1—C1—P1115.5 (9)
C15—P1—Hg1113.3 (4)C2—C1—P1119.3 (8)
C21—P1—Hg1113.6 (4)B6—C2—B564.2 (9)
C1—P1—Hg1104.6 (4)B6—C2—B164.4 (9)
C3—P2—C9109.0 (5)B5—C2—B1115.8 (11)
C3—P2—C2103.4 (6)B6—C2—B4114.1 (11)
C9—P2—C2111.4 (6)B5—C2—B463.4 (9)
C3—P2—Hg1117.9 (3)B1—C2—B4108.4 (10)
C9—P2—Hg1110.0 (4)B6—C2—C1108.1 (10)
C2—P2—Hg1104.8 (5)B5—C2—C1107.5 (10)
Hg1—Cl1—Hg288.21 (12)B1—C2—C157.8 (8)
Hg1—Cl2—Hg291.27 (10)B4—C2—C156.6 (8)
C1—B1—C264.4 (8)B6—C2—P2122.6 (9)
C1—B1—B257.2 (8)B5—C2—P2124.3 (10)
C2—B1—B2108.6 (11)B1—C2—P2114.8 (9)
C1—B1—B6107.2 (11)B4—C2—P2118.8 (9)
C2—B1—B656.6 (8)C1—C2—P2118.3 (8)
B2—B1—B6106.3 (12)C4—C3—C8111.6 (10)
C1—B1—B7103.1 (11)C4—C3—P2114.5 (8)
C2—B1—B7103.4 (11)C8—C3—P2112.2 (7)
B2—B1—B758.5 (9)C4—C3—H3A105.9
B6—B1—B758.5 (9)C8—C3—H3A105.9
C1—B1—H1122.2P2—C3—H3A105.9
C2—B1—H1121.7C3—C4—C5110.1 (12)
B2—B1—H1122.5C3—C4—H4A109.6
B6—B1—H1123.3C5—C4—H4A109.6
B7—B1—H1125.6C3—C4—H4B109.6
C1—B2—B7106.6 (12)C5—C4—H4B109.6
C1—B2—B357.9 (9)H4A—C4—H4B108.1
B7—B2—B3107.0 (13)C6—C5—C4111.0 (13)
C1—B2—B158.9 (8)C6—C5—H5A109.4
B7—B2—B161.4 (9)C4—C5—H5A109.4
B3—B2—B1106.3 (11)C6—C5—H5B109.4
C1—B2—B8104.4 (13)C4—C5—H5B109.4
B7—B2—B859.0 (11)H5A—C5—H5B108.0
B3—B2—B859.4 (10)C7—C6—C5110.8 (13)
B1—B2—B8107.1 (13)C7—C6—H6A109.5
C1—B2—H2124.1C5—C6—H6A109.5
B7—B2—H2121.6C7—C6—H6B109.5
B3—B2—H2122.9C5—C6—H6B109.5
B1—B2—H2121.7H6A—C6—H6B108.1
B8—B2—H2123.3C6—C7—C8113.0 (12)
C1—B3—B258.1 (9)C6—C7—H7A109.0
C1—B3—B458.2 (8)C8—C7—H7A109.0
B2—B3—B4106.2 (10)C6—C7—H7B109.0
C1—B3—B8106.2 (11)C8—C7—H7B109.0
B2—B3—B861.4 (10)H7A—C7—H7B107.8
B4—B3—B8107.3 (12)C7—C8—C3109.8 (10)
C1—B3—B9107.1 (10)C7—C8—H8A109.7
B2—B3—B9109.3 (12)C3—C8—H8A109.7
B4—B3—B961.1 (9)C7—C8—H8B109.7
B8—B3—B959.7 (11)C3—C8—H8B109.7
C1—B3—H3123.8H8A—C8—H8B108.2
B2—B3—H3121.7C10—C9—C14110.3 (12)
B4—B3—H3122.6C10—C9—P2104.4 (8)
B8—B3—H3121.9C14—C9—P2113.2 (8)
B9—B3—H3120.9C10—C9—H9A109.6
C1—B4—C265.0 (8)C14—C9—H9A109.6
C1—B4—B357.8 (8)P2—C9—H9A109.6
C2—B4—B3109.2 (11)C9—C10—C11112.8 (12)
C1—B4—B5109.1 (11)C9—C10—H10A109.0
C2—B4—B557.0 (8)C11—C10—H10A109.0
B3—B4—B5107.5 (12)C9—C10—H10B109.0
C1—B4—B9105.9 (12)C11—C10—H10B109.0
C2—B4—B9104.6 (11)H10A—C10—H10B107.8
B3—B4—B959.9 (10)C12—C11—C10109.4 (14)
B5—B4—B958.8 (9)C12—C11—H11A109.8
C1—B4—H4120.6C10—C11—H11A109.8
C2—B4—H4121.4C12—C11—H11B109.8
B3—B4—H4121.9C10—C11—H11B109.8
B5—B4—H4122.7H11A—C11—H11B108.2
B9—B4—H4124.2C13—C12—C11109.6 (14)
C2—B5—B9108.9 (12)C13—C12—H12A109.7
C2—B5—B657.9 (8)C11—C12—H12A109.7
B9—B5—B6108.3 (13)C13—C12—H12B109.7
C2—B5—B459.6 (8)C11—C12—H12B109.7
B9—B5—B461.6 (9)H12A—C12—H12B108.2
B6—B5—B4106.2 (11)C14—C13—C12111.0 (13)
C2—B5—B10106.0 (12)C14—C13—H13A109.4
B9—B5—B1060.1 (10)C12—C13—H13A109.4
B6—B5—B1059.7 (10)C14—C13—H13B109.4
B4—B5—B10107.8 (12)C12—C13—H13B109.4
C2—B5—H5122.9H13A—C13—H13B108.0
B9—B5—H5120.2C13—C14—C9110.5 (11)
B6—B5—H5122.9C13—C14—H14A109.5
B4—B5—H5121.8C9—C14—H14A109.5
B10—B5—H5122.4C13—C14—H14B109.5
C2—B6—B7107.5 (11)C9—C14—H14B109.5
C2—B6—B557.9 (8)H14A—C14—H14B108.1
B7—B6—B5108.4 (12)C20—C15—C16110.4 (11)
C2—B6—B10106.7 (11)C20—C15—P1110.4 (9)
B7—B6—B1060.4 (11)C16—C15—P1114.0 (9)
B5—B6—B1060.7 (10)C20—C15—H15107.2
C2—B6—B159.0 (8)C16—C15—H15107.2
B7—B6—B161.3 (9)P1—C15—H15107.2
B5—B6—B1106.5 (10)C17—C16—C15111.4 (12)
B10—B6—B1109.0 (11)C17—C16—H16A109.4
C2—B6—H6123.5C15—C16—H16A109.4
B7—B6—H6120.9C17—C16—H16B109.4
B5—B6—H6122.5C15—C16—H16B109.4
B10—B6—H6121.2H16A—C16—H16B108.0
B1—B6—H6121.6C18—C17—C16110.4 (14)
B8—B7—B261.9 (10)C18—C17—H17A109.6
B8—B7—B6107.0 (14)C16—C17—H17A109.6
B2—B7—B6109.1 (12)C18—C17—H17B109.6
B8—B7—B1058.3 (11)C16—C17—H17B109.6
B2—B7—B10108.8 (13)H17A—C17—H17B108.1
B6—B7—B1060.0 (10)C19—C18—C17109.8 (15)
B8—B7—B1108.4 (12)C19—C18—H18A109.7
B2—B7—B160.1 (9)C17—C18—H18A109.7
B6—B7—B160.3 (9)C19—C18—H18B109.7
B10—B7—B1107.9 (12)C17—C18—H18B109.7
B8—B7—H7122.0H18A—C18—H18B108.2
B2—B7—H7120.3C20—C19—C18109.9 (14)
B6—B7—H7121.7C20—C19—H19A109.7
B10—B7—H7122.2C18—C19—H19A109.7
B1—B7—H7121.6C20—C19—H19B109.7
B10—B8—B761.4 (11)C18—C19—H19B109.7
B10—B8—B961.0 (12)H19A—C19—H19B108.2
B7—B8—B9109.2 (13)C19—C20—C15112.9 (13)
B10—B8—B3109.3 (13)C19—C20—H20A109.0
B7—B8—B3107.0 (12)C15—C20—H20A109.0
B9—B8—B360.5 (11)C19—C20—H20B109.0
B10—B8—B2109.1 (12)C15—C20—H20B109.0
B7—B8—B259.1 (10)H20A—C20—H20B107.8
B9—B8—B2108.2 (12)C22—C21—C26110.1 (11)
B3—B8—B259.2 (9)C22—C21—P1105.3 (8)
B10—B8—H8120.1C26—C21—P1114.5 (8)
B7—B8—H8121.8C22—C21—H21108.9
B9—B8—H8120.9C26—C21—H21108.9
B3—B8—H8122.0P1—C21—H21108.9
B2—B8—H8122.2C21—C22—C23112.1 (12)
B5—B9—B8107.0 (13)C21—C22—H22A109.2
B5—B9—B1060.8 (10)C23—C22—H22A109.2
B8—B9—B1058.1 (11)C21—C22—H22B109.2
B5—B9—B3107.6 (11)C23—C22—H22B109.2
B8—B9—B359.9 (10)H22A—C22—H22B107.9
B10—B9—B3106.6 (13)C24—C23—C22109.3 (12)
B5—B9—B459.6 (9)C24—C23—H23A109.8
B8—B9—B4106.0 (12)C22—C23—H23A109.8
B10—B9—B4106.8 (11)C24—C23—H23B109.8
B3—B9—B459.1 (9)C22—C23—H23B109.8
B5—B9—H9121.5H23A—C23—H23B108.3
B8—B9—H9123.1C25—C24—C23110.7 (14)
B10—B9—H9122.5C25—C24—H24A109.5
B3—B9—H9122.2C23—C24—H24A109.5
B4—B9—H9122.9C25—C24—H24B109.5
B8—B10—B6108.3 (12)C23—C24—H24B109.5
B8—B10—B960.9 (11)H24A—C24—H24B108.1
B6—B10—B9107.5 (11)C24—C25—C26111.3 (13)
B8—B10—B760.3 (11)C24—C25—H25A109.4
B6—B10—B759.6 (10)C26—C25—H25A109.4
B9—B10—B7108.3 (12)C24—C25—H25B109.4
B8—B10—B5107.9 (12)C26—C25—H25B109.4
B6—B10—B559.6 (9)H25A—C25—H25B108.0
B9—B10—B559.2 (10)C25—C26—C21109.3 (11)
B7—B10—B5106.9 (11)C25—C26—H26A109.8
B8—B10—H10121.0C21—C26—H26A109.8
B6—B10—H10122.0C25—C26—H26B109.8
B9—B10—H10121.7C21—C26—H26B109.8
B7—B10—H10122.0H26A—C26—H26B108.3
Cl2—Hg1—P1—C1518.0 (5)B5—B9—B10—B799.2 (12)
P2—Hg1—P1—C15108.5 (5)B8—B9—B10—B738.7 (12)
Cl1—Hg1—P1—C15128.9 (5)B3—B9—B10—B72.0 (16)
Cl2—Hg1—P1—C21108.1 (4)B4—B9—B10—B759.9 (15)
P2—Hg1—P1—C21125.4 (4)B8—B9—B10—B5137.9 (13)
Cl1—Hg1—P1—C212.9 (4)B3—B9—B10—B5101.2 (13)
Cl2—Hg1—P1—C1131.4 (4)B4—B9—B10—B539.3 (11)
P2—Hg1—P1—C14.8 (4)B2—B7—B10—B837.3 (12)
Cl1—Hg1—P1—C1117.7 (4)B6—B7—B10—B8139.0 (13)
Cl2—Hg1—P2—C324.7 (5)B1—B7—B10—B8101.0 (13)
P1—Hg1—P2—C3109.3 (5)B8—B7—B10—B6139.0 (13)
Cl1—Hg1—P2—C3134.0 (5)B2—B7—B10—B6101.6 (13)
Cl2—Hg1—P2—C9101.2 (4)B1—B7—B10—B638.0 (10)
P1—Hg1—P2—C9124.9 (4)B8—B7—B10—B939.0 (12)
Cl1—Hg1—P2—C98.2 (4)B2—B7—B10—B91.6 (16)
Cl2—Hg1—P2—C2139.0 (4)B6—B7—B10—B9100.0 (12)
P1—Hg1—P2—C25.0 (4)B1—B7—B10—B962.0 (15)
Cl1—Hg1—P2—C2111.7 (4)B8—B7—B10—B5101.3 (13)
Cl2—Hg1—Cl1—Hg223.46 (14)B2—B7—B10—B564.0 (15)
P1—Hg1—Cl1—Hg2108.06 (13)B6—B7—B10—B537.6 (10)
P2—Hg1—Cl1—Hg2145.84 (10)B1—B7—B10—B50.4 (15)
Cl3—Hg2—Cl1—Hg1124.14 (18)C2—B5—B10—B864.9 (15)
Cl4—Hg2—Cl1—Hg172.4 (2)B9—B5—B10—B838.0 (12)
Cl2—Hg2—Cl1—Hg121.15 (13)B6—B5—B10—B8101.2 (14)
P1—Hg1—Cl2—Hg295.34 (14)B4—B5—B10—B82.4 (16)
P2—Hg1—Cl2—Hg2148.51 (10)C2—B5—B10—B636.2 (10)
Cl1—Hg1—Cl2—Hg224.38 (15)B9—B5—B10—B6139.2 (12)
Cl3—Hg2—Cl2—Hg1113.91 (17)B4—B5—B10—B698.7 (11)
Cl4—Hg2—Cl2—Hg183.1 (2)C2—B5—B10—B9102.9 (12)
Cl1—Hg2—Cl2—Hg121.44 (13)B6—B5—B10—B9139.2 (12)
C2—B1—B2—C140.6 (10)B4—B5—B10—B940.4 (11)
B6—B1—B2—C1100.2 (11)C2—B5—B10—B71.4 (15)
B7—B1—B2—C1135.3 (13)B9—B5—B10—B7101.5 (13)
C1—B1—B2—B7135.3 (13)B6—B5—B10—B737.6 (11)
C2—B1—B2—B794.6 (13)B4—B5—B10—B761.1 (14)
B6—B1—B2—B735.0 (11)B4—B3—C1—B2140.6 (12)
C1—B1—B2—B334.4 (11)B8—B3—C1—B239.9 (12)
C2—B1—B2—B36.2 (15)B9—B3—C1—B2102.4 (14)
B6—B1—B2—B365.8 (14)B2—B3—C1—B4140.6 (12)
B7—B1—B2—B3100.8 (14)B8—B3—C1—B4100.7 (13)
C1—B1—B2—B896.8 (13)B9—B3—C1—B438.1 (12)
C2—B1—B2—B856.1 (14)B2—B3—C1—B139.6 (12)
B6—B1—B2—B83.5 (15)B4—B3—C1—B1101.0 (13)
B7—B1—B2—B838.5 (12)B8—B3—C1—B10.3 (16)
B7—B2—B3—C199.3 (12)B9—B3—C1—B162.9 (15)
B1—B2—B3—C134.9 (11)B2—B3—C1—C2102.1 (11)
B8—B2—B3—C1135.4 (12)B4—B3—C1—C238.5 (10)
C1—B2—B3—B434.2 (11)B8—B3—C1—C262.2 (13)
B7—B2—B3—B465.1 (14)B9—B3—C1—C20.3 (15)
B1—B2—B3—B40.7 (16)B2—B3—C1—P1111.1 (13)
B8—B2—B3—B4101.3 (13)B4—B3—C1—P1108.3 (12)
C1—B2—B3—B8135.4 (12)B8—B3—C1—P1151.0 (11)
B7—B2—B3—B836.1 (12)B9—B3—C1—P1146.4 (11)
B1—B2—B3—B8100.6 (13)B7—B2—C1—B3100.0 (14)
C1—B2—B3—B998.6 (12)B1—B2—C1—B3140.1 (12)
B7—B2—B3—B90.7 (15)B8—B2—C1—B338.6 (11)
B1—B2—B3—B963.7 (15)B7—B2—C1—B460.7 (15)
B8—B2—B3—B936.9 (12)B3—B2—C1—B439.3 (11)
B2—B3—B4—C134.2 (11)B1—B2—C1—B4100.9 (12)
B8—B3—B4—C198.6 (12)B8—B2—C1—B40.7 (15)
B9—B3—B4—C1137.6 (12)B7—B2—C1—B140.2 (11)
C1—B3—B4—C241.5 (11)B3—B2—C1—B1140.1 (12)
B2—B3—B4—C27.3 (16)B8—B2—C1—B1101.6 (12)
B8—B3—B4—C257.1 (15)B7—B2—C1—C22.5 (15)
B9—B3—B4—C296.1 (12)B3—B2—C1—C2102.4 (11)
C1—B3—B4—B5101.9 (11)B1—B2—C1—C237.7 (10)
B2—B3—B4—B567.7 (14)B8—B2—C1—C263.9 (12)
B8—B3—B4—B53.3 (15)B7—B2—C1—P1145.7 (11)
B9—B3—B4—B535.7 (11)B3—B2—C1—P1114.4 (11)
C1—B3—B4—B9137.6 (12)B1—B2—C1—P1105.5 (11)
B2—B3—B4—B9103.4 (13)B8—B2—C1—P1153.0 (10)
B8—B3—B4—B939.0 (12)C2—B4—C1—B3136.3 (11)
C1—B4—B5—C240.7 (10)B5—B4—C1—B399.1 (13)
B3—B4—B5—C2102.0 (11)B9—B4—C1—B337.3 (11)
B9—B4—B5—C2138.1 (13)C2—B4—C1—B297.0 (12)
C1—B4—B5—B997.4 (13)B3—B4—C1—B239.3 (11)
C2—B4—B5—B9138.1 (13)B5—B4—C1—B259.9 (14)
B3—B4—B5—B936.2 (11)B9—B4—C1—B21.9 (14)
C1—B4—B5—B65.1 (15)C2—B4—C1—B127.2 (10)
C2—B4—B5—B635.7 (10)B3—B4—C1—B1109.1 (12)
B3—B4—B5—B666.3 (13)B5—B4—C1—B110.0 (14)
B9—B4—B5—B6102.4 (13)B9—B4—C1—B171.8 (12)
C1—B4—B5—B1057.7 (14)B3—B4—C1—C2136.3 (11)
C2—B4—B5—B1098.4 (13)B5—B4—C1—C237.2 (9)
B3—B4—B5—B103.5 (14)B9—B4—C1—C299.0 (11)
B9—B4—B5—B1039.7 (12)C2—B4—C1—P1108.7 (10)
B9—B5—B6—C2101.2 (12)B3—B4—C1—P1115.0 (11)
B4—B5—B6—C236.4 (10)B5—B4—C1—P1145.9 (10)
B10—B5—B6—C2137.9 (12)B9—B4—C1—P1152.3 (9)
C2—B5—B6—B799.5 (12)C2—B1—C1—B397.2 (12)
B9—B5—B6—B71.7 (15)B2—B1—C1—B339.6 (12)
B4—B5—B6—B763.1 (14)B6—B1—C1—B359.1 (14)
B10—B5—B6—B738.4 (11)B7—B1—C1—B31.5 (15)
C2—B5—B6—B10137.9 (12)C2—B1—C1—B2136.8 (11)
B9—B5—B6—B1036.6 (11)B6—B1—C1—B298.7 (12)
B4—B5—B6—B10101.5 (12)B7—B1—C1—B238.0 (11)
C2—B5—B6—B135.0 (10)C2—B1—C1—B427.4 (10)
B9—B5—B6—B166.3 (14)B2—B1—C1—B4109.5 (12)
B4—B5—B6—B11.4 (14)B6—B1—C1—B410.8 (14)
B10—B5—B6—B1102.9 (12)B7—B1—C1—B471.4 (13)
C1—B1—B6—C241.8 (10)B2—B1—C1—C2136.8 (11)
B2—B1—B6—C2101.8 (11)B6—B1—C1—C238.1 (9)
B7—B1—B6—C2136.9 (12)B7—B1—C1—C298.8 (11)
C1—B1—B6—B795.1 (12)C2—B1—C1—P1109.9 (10)
C2—B1—B6—B7136.9 (12)B2—B1—C1—P1113.3 (12)
B2—B1—B6—B735.1 (11)B6—B1—C1—P1148.0 (9)
C1—B1—B6—B57.3 (14)B7—B1—C1—P1151.4 (10)
C2—B1—B6—B534.5 (10)C15—P1—C1—B3100.8 (11)
B2—B1—B6—B567.3 (13)C21—P1—C1—B317.3 (13)
B7—B1—B6—B5102.4 (12)Hg1—P1—C1—B3139.9 (10)
C1—B1—B6—B1056.7 (14)C15—P1—C1—B223.7 (11)
C2—B1—B6—B1098.5 (12)C21—P1—C1—B294.4 (11)
B2—B1—B6—B103.3 (15)Hg1—P1—C1—B2143.0 (9)
B7—B1—B6—B1038.4 (12)C15—P1—C1—B4176.6 (9)
C1—B2—B7—B897.1 (13)C21—P1—C1—B458.5 (11)
B3—B2—B7—B836.3 (12)Hg1—P1—C1—B464.1 (9)
B1—B2—B7—B8136.0 (13)C15—P1—C1—B149.9 (11)
C1—B2—B7—B62.5 (17)C21—P1—C1—B1167.9 (9)
B3—B2—B7—B663.2 (15)Hg1—P1—C1—B169.5 (10)
B1—B2—B7—B636.4 (12)C15—P1—C1—C2115.7 (9)
B8—B2—B7—B699.6 (15)C21—P1—C1—C2126.2 (9)
C1—B2—B7—B1061.3 (15)Hg1—P1—C1—C23.6 (9)
B3—B2—B7—B100.6 (15)B7—B6—C2—B5101.2 (13)
B1—B2—B7—B10100.2 (13)B10—B6—C2—B537.6 (12)
B8—B2—B7—B1035.8 (12)B1—B6—C2—B5140.1 (11)
C1—B2—B7—B139.0 (11)B7—B6—C2—B138.9 (11)
B3—B2—B7—B199.7 (12)B5—B6—C2—B1140.1 (11)
B8—B2—B7—B1136.0 (13)B10—B6—C2—B1102.5 (12)
C2—B6—B7—B863.9 (15)B7—B6—C2—B460.8 (15)
B5—B6—B7—B82.8 (15)B5—B6—C2—B440.4 (11)
B10—B6—B7—B835.7 (12)B10—B6—C2—B42.8 (16)
B1—B6—B7—B8101.8 (13)B1—B6—C2—B499.7 (12)
C2—B6—B7—B21.5 (17)B7—B6—C2—C10.0 (14)
B5—B6—B7—B262.7 (15)B5—B6—C2—C1101.2 (10)
B10—B6—B7—B2101.2 (14)B10—B6—C2—C163.6 (13)
B1—B6—B7—B236.4 (12)B1—B6—C2—C138.9 (9)
C2—B6—B7—B1099.7 (12)B7—B6—C2—P2143.2 (11)
B5—B6—B7—B1038.5 (11)B5—B6—C2—P2115.7 (12)
B1—B6—B7—B10137.6 (12)B10—B6—C2—P2153.3 (11)
C2—B6—B7—B137.9 (10)B1—B6—C2—P2104.2 (11)
B5—B6—B7—B199.1 (11)B9—B5—C2—B6100.2 (14)
B10—B6—B7—B1137.6 (12)B4—B5—C2—B6138.6 (12)
C1—B1—B7—B82.8 (16)B10—B5—C2—B637.1 (11)
C2—B1—B7—B863.6 (15)B9—B5—C2—B160.3 (16)
B2—B1—B7—B840.2 (13)B6—B5—C2—B140.0 (11)
B6—B1—B7—B899.5 (15)B4—B5—C2—B198.7 (12)
C1—B1—B7—B237.4 (11)B10—B5—C2—B12.9 (15)
C2—B1—B7—B2103.8 (12)B9—B5—C2—B438.4 (12)
B6—B1—B7—B2139.7 (13)B6—B5—C2—B4138.6 (12)
C1—B1—B7—B6102.3 (11)B10—B5—C2—B4101.6 (12)
C2—B1—B7—B635.9 (10)B9—B5—C2—C11.8 (15)
B2—B1—B7—B6139.7 (13)B6—B5—C2—C1102.0 (11)
C1—B1—B7—B1064.5 (14)B4—B5—C2—C136.6 (10)
C2—B1—B7—B101.9 (14)B10—B5—C2—C165.0 (12)
B2—B1—B7—B10101.9 (13)B9—B5—C2—P2146.5 (11)
B6—B1—B7—B1037.9 (11)B6—B5—C2—P2113.3 (12)
B2—B7—B8—B10139.4 (13)B4—B5—C2—P2108.1 (12)
B6—B7—B8—B1036.5 (12)B10—B5—C2—P2150.3 (10)
B1—B7—B8—B10100.1 (14)C1—B1—C2—B6135.1 (10)
B2—B7—B8—B9100.2 (14)B2—B1—C2—B697.7 (12)
B6—B7—B8—B92.8 (17)B7—B1—C2—B636.8 (10)
B10—B7—B8—B939.2 (12)C1—B1—C2—B595.2 (11)
B1—B7—B8—B960.8 (17)B2—B1—C2—B557.8 (15)
B2—B7—B8—B336.3 (12)B6—B1—C2—B539.9 (11)
B6—B7—B8—B366.7 (16)B7—B1—C2—B53.1 (14)
B10—B7—B8—B3103.2 (15)C1—B1—C2—B426.5 (10)
B1—B7—B8—B33.1 (18)B2—B1—C2—B410.9 (14)
B6—B7—B8—B2102.9 (13)B6—B1—C2—B4108.6 (11)
B10—B7—B8—B2139.4 (13)B7—B1—C2—B471.8 (12)
B1—B7—B8—B239.4 (12)B2—B1—C2—C137.4 (10)
C1—B3—B8—B1062.8 (16)B6—B1—C2—C1135.1 (10)
B2—B3—B8—B10101.2 (14)B7—B1—C2—C198.3 (11)
B4—B3—B8—B101.8 (16)C1—B1—C2—P2109.0 (10)
B9—B3—B8—B1037.8 (12)B2—B1—C2—P2146.4 (10)
C1—B3—B8—B72.1 (17)B6—B1—C2—P2115.9 (11)
B2—B3—B8—B736.2 (12)B7—B1—C2—P2152.7 (9)
B4—B3—B8—B763.1 (16)C1—B4—C2—B696.4 (12)
B9—B3—B8—B7102.8 (14)B3—B4—C2—B658.1 (15)
C1—B3—B8—B9100.6 (12)B5—B4—C2—B640.7 (12)
B2—B3—B8—B9139.0 (12)B9—B4—C2—B64.6 (15)
B4—B3—B8—B939.6 (11)C1—B4—C2—B5137.1 (12)
C1—B3—B8—B238.4 (11)B3—B4—C2—B598.8 (13)
B4—B3—B8—B299.4 (12)B9—B4—C2—B536.1 (11)
B9—B3—B8—B2139.0 (12)C1—B4—C2—B126.9 (10)
C1—B2—B8—B1063.8 (16)B3—B4—C2—B111.4 (15)
B7—B2—B8—B1037.2 (13)B5—B4—C2—B1110.2 (12)
B3—B2—B8—B10101.6 (15)B9—B4—C2—B174.1 (13)
B1—B2—B8—B102.5 (17)B3—B4—C2—C138.3 (10)
C1—B2—B8—B7101.0 (12)B5—B4—C2—C1137.1 (12)
B3—B2—B8—B7138.8 (13)B9—B4—C2—C1101.0 (12)
B1—B2—B8—B739.6 (12)C1—B4—C2—P2106.6 (11)
C1—B2—B8—B90.9 (15)B3—B4—C2—P2144.8 (10)
B7—B2—B8—B9101.9 (14)B5—B4—C2—P2116.3 (12)
B3—B2—B8—B936.9 (11)B9—B4—C2—P2152.5 (10)
B1—B2—B8—B962.3 (15)B3—C1—C2—B666.5 (12)
C1—B2—B8—B337.8 (10)B2—C1—C2—B61.6 (13)
B7—B2—B8—B3138.8 (13)B4—C1—C2—B6107.5 (12)
B1—B2—B8—B399.2 (12)B1—C1—C2—B642.1 (10)
C2—B5—B9—B861.4 (16)P1—C1—C2—B6145.4 (9)
B6—B5—B9—B80.0 (16)B3—C1—C2—B51.3 (14)
B4—B5—B9—B898.9 (13)B2—C1—C2—B569.4 (13)
B10—B5—B9—B836.5 (12)B4—C1—C2—B539.7 (11)
C2—B5—B9—B1098.0 (14)B1—C1—C2—B5109.9 (12)
B6—B5—B9—B1036.5 (11)P1—C1—C2—B5146.8 (10)
B4—B5—B9—B10135.4 (13)B3—C1—C2—B1108.5 (12)
C2—B5—B9—B31.6 (17)B2—C1—C2—B140.5 (11)
B6—B5—B9—B363.0 (15)B4—C1—C2—B1149.5 (12)
B4—B5—B9—B335.9 (12)P1—C1—C2—B1103.3 (10)
B10—B5—B9—B399.6 (14)B3—C1—C2—B441.0 (11)
C2—B5—B9—B437.5 (11)B2—C1—C2—B4109.1 (12)
B6—B5—B9—B498.9 (12)B1—C1—C2—B4149.5 (12)
B10—B5—B9—B4135.4 (13)P1—C1—C2—B4107.1 (11)
B10—B8—B9—B537.7 (11)B3—C1—C2—P2148.5 (9)
B7—B8—B9—B51.7 (17)B2—C1—C2—P2143.4 (10)
B3—B8—B9—B5100.8 (12)B4—C1—C2—P2107.5 (11)
B2—B8—B9—B564.5 (15)B1—C1—C2—P2103.0 (10)
B7—B8—B9—B1039.4 (12)P1—C1—C2—P20.4 (13)
B3—B8—B9—B10138.6 (12)C3—P2—C2—B619.7 (12)
B2—B8—B9—B10102.2 (13)C9—P2—C2—B697.3 (11)
B10—B8—B9—B3138.6 (12)Hg1—P2—C2—B6143.8 (10)
B7—B8—B9—B399.1 (13)C3—P2—C2—B598.7 (11)
B2—B8—B9—B336.4 (11)C9—P2—C2—B518.3 (13)
B10—B8—B9—B4100.2 (12)Hg1—P2—C2—B5137.2 (10)
B7—B8—B9—B460.7 (15)C3—P2—C2—B154.7 (10)
B3—B8—B9—B438.4 (10)C9—P2—C2—B1171.7 (9)
B2—B8—B9—B42.0 (15)Hg1—P2—C2—B169.4 (9)
C1—B3—B9—B50.7 (17)C3—P2—C2—B4174.7 (10)
B2—B3—B9—B562.2 (16)C9—P2—C2—B457.7 (12)
B4—B3—B9—B536.1 (12)Hg1—P2—C2—B461.2 (10)
B8—B3—B9—B599.8 (14)C3—P2—C2—C1120.0 (8)
C1—B3—B9—B899.1 (12)C9—P2—C2—C1123.0 (9)
B2—B3—B9—B837.6 (11)Hg1—P2—C2—C14.1 (9)
B4—B3—B9—B8135.9 (11)C9—P2—C3—C429.5 (12)
C1—B3—B9—B1063.2 (15)C2—P2—C3—C489.1 (11)
B2—B3—B9—B101.7 (15)Hg1—P2—C3—C4155.8 (9)
B4—B3—B9—B10100.0 (12)C9—P2—C3—C899.1 (10)
B8—B3—B9—B1035.9 (11)C2—P2—C3—C8142.3 (10)
C1—B3—B9—B436.8 (10)Hg1—P2—C3—C827.2 (11)
B2—B3—B9—B498.3 (12)C8—C3—C4—C557.7 (17)
B8—B3—B9—B4135.9 (11)P2—C3—C4—C5173.4 (11)
C1—B4—B9—B5103.0 (12)C3—C4—C5—C658 (2)
C2—B4—B9—B535.4 (11)C4—C5—C6—C756 (2)
B3—B4—B9—B5139.4 (13)C5—C6—C7—C855 (2)
C1—B4—B9—B82.3 (14)C6—C7—C8—C354.1 (18)
C2—B4—B9—B865.3 (14)C4—C3—C8—C755.4 (16)
B3—B4—B9—B838.8 (11)P2—C3—C8—C7174.5 (10)
B5—B4—B9—B8100.6 (13)C3—P2—C9—C1067.1 (11)
C1—B4—B9—B1063.2 (14)C2—P2—C9—C10179.4 (10)
C2—B4—B9—B104.5 (16)Hg1—P2—C9—C1063.7 (10)
B3—B4—B9—B1099.6 (14)C3—P2—C9—C14173.0 (9)
B5—B4—B9—B1039.8 (12)C2—P2—C9—C1459.5 (11)
C1—B4—B9—B336.4 (10)Hg1—P2—C9—C1456.3 (10)
C2—B4—B9—B3104.0 (12)C14—C9—C10—C1154.7 (19)
B5—B4—B9—B3139.4 (13)P2—C9—C10—C11176.6 (13)
B7—B8—B10—B636.6 (12)C9—C10—C11—C1257 (2)
B9—B8—B10—B6100.3 (13)C10—C11—C12—C1358 (2)
B3—B8—B10—B662.7 (17)C11—C12—C13—C1460 (2)
B2—B8—B10—B60.4 (18)C12—C13—C14—C958.1 (19)
B7—B8—B10—B9136.9 (12)C10—C9—C14—C1354.4 (16)
B3—B8—B10—B937.6 (12)P2—C9—C14—C13170.9 (11)
B2—B8—B10—B9100.7 (14)C21—P1—C15—C20100.2 (11)
B9—B8—B10—B7136.9 (12)C1—P1—C15—C20141.2 (10)
B3—B8—B10—B799.3 (13)Hg1—P1—C15—C2027.8 (11)
B2—B8—B10—B736.2 (12)C21—P1—C15—C1624.7 (12)
B7—B8—B10—B599.7 (13)C1—P1—C15—C1693.9 (11)
B9—B8—B10—B537.2 (12)Hg1—P1—C15—C16152.8 (9)
B3—B8—B10—B50.4 (17)C20—C15—C16—C1753.1 (18)
B2—B8—B10—B563.5 (17)P1—C15—C16—C17178.0 (11)
C2—B6—B10—B864.0 (16)C15—C16—C17—C1857.3 (18)
B7—B6—B10—B836.9 (13)C16—C17—C18—C1960.0 (19)
B5—B6—B10—B8100.4 (14)C17—C18—C19—C2059 (2)
B1—B6—B10—B81.8 (17)C18—C19—C20—C1556 (2)
C2—B6—B10—B90.3 (16)C16—C15—C20—C1953.2 (18)
B7—B6—B10—B9101.3 (14)P1—C15—C20—C19179.8 (12)
B5—B6—B10—B936.1 (12)C15—P1—C21—C2268.0 (10)
B1—B6—B10—B962.6 (16)C1—P1—C21—C22177.2 (9)
C2—B6—B10—B7101.0 (12)Hg1—P1—C21—C2260.0 (9)
B5—B6—B10—B7137.4 (12)C15—P1—C21—C26170.9 (10)
B1—B6—B10—B738.7 (11)C1—P1—C21—C2656.0 (12)
C2—B6—B10—B536.4 (11)Hg1—P1—C21—C2661.2 (11)
B7—B6—B10—B5137.4 (12)C26—C21—C22—C2357.5 (16)
B1—B6—B10—B598.6 (12)P1—C21—C22—C23178.5 (10)
B5—B9—B10—B8137.9 (13)C21—C22—C23—C2456.6 (19)
B3—B9—B10—B836.7 (11)C22—C23—C24—C2556 (2)
B4—B9—B10—B898.6 (13)C23—C24—C25—C2659 (2)
B5—B9—B10—B636.2 (11)C24—C25—C26—C2158.5 (19)
B8—B9—B10—B6101.7 (14)C22—C21—C26—C2557.1 (16)
B3—B9—B10—B665.0 (15)P1—C21—C26—C25175.5 (10)
B4—B9—B10—B63.0 (17)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
B1—H1···Cl3i1.102.713.791 (16)169
Symmetry code: (i) x, y+1/2, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
B1—H1···Cl3i1.102.713.791 (16)169
Symmetry code: (i) x, y+1/2, z+1.
 

Acknowledgements

This work was supported by the Natural Science Foundation of China, National Ministry of Science and Technology of China (grant No. 2012CB224801).

References

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