
Acta Cryst. (2008). E64, m134 [ doi:10.1107/S1600536807065130 ]
2P,P']dichloridomercury(II)In the title complex, [HgCl2(C14H38B10P2)], the HgII atom is in a distorted HgCl2P2 tetrahedral coordination environment. The chelation of the Hg atom by two P atoms and two C atoms from the carborane skeleton results in a nearly planar five-membered ring.
The title compound was synthesizd by the reaction of 1 mmol HgCl2 and 1 mmol 1,2-(PiPr2)2-1,2-C2B10H10 in 10 ml dichloromethane under the protection of N2. The mixture was refluxed for 4 h, then a colourless solution formed, and colourless blocks of (I) were obtained from a dichloromethane/n-hexane solution (61.7%, m.p. 405–406 K). FTIR (KBr) \v (cm-l): 2990, 2968, 2932, 2875 (C—H); 2615, 2603, 2586, 2558 (B—H); 1072 (C—P).
All H atoms were placed geometrically (B—H = 1.10 Å, C—H = 0.96–0.98 Å) and refined as riding with Uiso(H) = 1.2Ueq(B) or 1.5Ueq(C).
Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2001); software used to prepare material for publication: SHELXTL (Bruker, 2001).
| Fig. 1. The molecular structure of (I), with 30% probability displacement ellipsoids (H atoms omitted for clarity). |
| [HgCl2(C14H38B10P2)] | Z = 16 |
| Mr = 647.97 | F000 = 5056 |
| Tetragonal, I41/a | Dx = 1.571 Mg m−3 |
| Hall symbol: -I 4ad | Mo Kα radiation λ = 0.71073 Å |
| a = 21.110 (3) Å | Cell parameters from 5681 reflections |
| b = 21.110 (3) Å | θ = 2.3–25.3º |
| c = 24.585 (6) Å | µ = 5.93 mm−1 |
| α = 90º | T = 298 (2) K |
| β = 90º | Block, colorless |
| γ = 90º | 0.53 × 0.49 × 0.47 mm |
| V = 10956 (3) Å3 |
| Bruker SMART CCD diffractometer | 4815 independent reflections |
| Radiation source: fine-focus sealed tube | 3491 reflections with I > 2σ(I) |
| Monochromator: graphite | Rint = 0.081 |
| T = 298(2) K | θmax = 25.0º |
| ω scans | θmin = 1.9º |
| Absorption correction: multi-scan (SADABS; Bruker, 2001) | h = −25→23 |
| Tmin = 0.145, Tmax = 0.167 | k = −17→25 |
| 22446 measured reflections | l = −29→27 |
| 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)] = 0.038 | H-atom parameters constrained |
| wR(F2) = 0.077 | w = 1/[σ2(Fo2) + (0.031P)2] where P = (Fo2 + 2Fc2)/3 |
| S = 1.00 | (Δ/σ)max = 0.002 |
| 4815 reflections | Δρmax = 1.37 e Å−3 |
| 270 parameters | Δρmin = −1.23 e Å−3 |
| 290 restraints | Extinction correction: none |
| Primary atom site location: structure-invariant direct methods |
| [HgCl2(C14H38B10P2)] | γ = 90º |
| Mr = 647.97 | V = 10956 (3) Å3 |
| Tetragonal, I41/a | Z = 16 |
| a = 21.110 (3) Å | Mo Kα |
| b = 21.110 (3) Å | µ = 5.93 mm−1 |
| c = 24.585 (6) Å | T = 298 (2) K |
| α = 90º | 0.53 × 0.49 × 0.47 mm |
| β = 90º |
| Bruker SMART CCD diffractometer | 4815 independent reflections |
| Absorption correction: multi-scan (SADABS; Bruker, 2001) | 3491 reflections with I > 2σ(I) |
| Tmin = 0.145, Tmax = 0.167 | Rint = 0.081 |
| 22446 measured reflections |
| R[F2 > 2σ(F2)] = 0.038 | H-atom parameters constrained |
| wR(F2) = 0.077 | Δρmax = 1.37 e Å−3 |
| S = 1.00 | Δρmin = −1.23 e Å−3 |
| 4815 reflections | Absolute structure: ? |
| 270 parameters | Flack parameter: ? |
| 290 restraints | Rogers parameter: ? |
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. |
| x | y | z | Uiso*/Ueq | ||
| P1 | 0.88138 (6) | 0.58515 (7) | 0.21383 (4) | 0.0258 (3) | |
| Hg1 | 0.906748 (11) | 0.554286 (12) | 0.117243 (8) | 0.03997 (11) | |
| P2 | 1.02256 (7) | 0.53987 (8) | 0.13960 (5) | 0.0344 (4) | |
| Cl1 | 0.87446 (8) | 0.63978 (9) | 0.05593 (7) | 0.0653 (5) | |
| Cl2 | 0.85996 (8) | 0.45816 (8) | 0.07802 (7) | 0.0598 (5) | |
| B3 | 1.0185 (3) | 0.6349 (3) | 0.2328 (2) | 0.0303 (16) | |
| H3 | 1.0115 | 0.6728 | 0.2028 | 0.036* | |
| B4 | 0.9818 (3) | 0.6364 (4) | 0.2987 (2) | 0.0391 (19) | |
| H4 | 0.9519 | 0.6761 | 0.3122 | 0.047* | |
| B5 | 0.9646 (3) | 0.5571 (3) | 0.3155 (2) | 0.0401 (19) | |
| H5 | 0.9232 | 0.5447 | 0.3406 | 0.048* | |
| B6 | 0.9896 (3) | 0.5093 (3) | 0.2589 (2) | 0.0319 (16) | |
| H6 | 0.9638 | 0.4667 | 0.2457 | 0.038* | |
| B7 | 1.0743 (3) | 0.5145 (4) | 0.2565 (3) | 0.0413 (19) | |
| H7 | 1.1044 | 0.4750 | 0.2430 | 0.050* | |
| B8 | 1.0922 (3) | 0.5945 (3) | 0.2405 (3) | 0.0379 (18) | |
| H8 | 1.1341 | 0.6074 | 0.2164 | 0.046* | |
| B9 | 1.0649 (3) | 0.6428 (4) | 0.2937 (3) | 0.046 (2) | |
| H9 | 1.0894 | 0.6872 | 0.3041 | 0.056* | |
| B10 | 1.0309 (3) | 0.5941 (4) | 0.3432 (3) | 0.050 (2) | |
| H10 | 1.0334 | 0.6065 | 0.3866 | 0.060* | |
| B11 | 1.0350 (3) | 0.5142 (4) | 0.3206 (3) | 0.047 (2) | |
| H11 | 1.0393 | 0.4738 | 0.3486 | 0.057* | |
| B12 | 1.0978 (3) | 0.5680 (4) | 0.3086 (3) | 0.050 (2) | |
| H12 | 1.1436 | 0.5629 | 0.3294 | 0.060* | |
| C1 | 0.9610 (2) | 0.5824 (3) | 0.24933 (18) | 0.0280 (12) | |
| C2 | 1.0262 (2) | 0.5577 (3) | 0.21524 (19) | 0.0301 (12) | |
| C3 | 0.8303 (3) | 0.5299 (3) | 0.2536 (2) | 0.0326 (13) | |
| H3A | 0.8588 | 0.4975 | 0.2683 | 0.039* | |
| C4 | 0.7960 (3) | 0.5584 (3) | 0.3027 (2) | 0.0508 (17) | |
| H4A | 0.7646 | 0.5880 | 0.2903 | 0.076* | |
| H4B | 0.8260 | 0.5799 | 0.3255 | 0.076* | |
| H4C | 0.7758 | 0.5252 | 0.3230 | 0.076* | |
| C5 | 0.7850 (3) | 0.4955 (3) | 0.2166 (2) | 0.0515 (18) | |
| H5A | 0.7646 | 0.4620 | 0.2364 | 0.077* | |
| H5B | 0.8079 | 0.4778 | 0.1864 | 0.077* | |
| H5C | 0.7537 | 0.5246 | 0.2034 | 0.077* | |
| C6 | 0.8465 (3) | 0.6652 (3) | 0.2224 (2) | 0.0380 (14) | |
| H6A | 0.8417 | 0.6741 | 0.2613 | 0.046* | |
| C7 | 0.8844 (3) | 0.7185 (3) | 0.1962 (3) | 0.0577 (18) | |
| H7A | 0.8959 | 0.7066 | 0.1598 | 0.087* | |
| H7B | 0.9220 | 0.7263 | 0.2171 | 0.087* | |
| H7C | 0.8590 | 0.7563 | 0.1951 | 0.087* | |
| C8 | 0.7808 (3) | 0.6633 (3) | 0.1959 (3) | 0.0584 (18) | |
| H8A | 0.7606 | 0.7037 | 0.2001 | 0.088* | |
| H8B | 0.7556 | 0.6312 | 0.2131 | 0.088* | |
| H8C | 0.7851 | 0.6537 | 0.1579 | 0.088* | |
| C9 | 1.0537 (3) | 0.4602 (3) | 0.1261 (3) | 0.0523 (16) | |
| H9A | 1.0981 | 0.4580 | 0.1375 | 0.063* | |
| C10 | 1.0167 (4) | 0.4082 (3) | 0.1536 (3) | 0.078 (2) | |
| H10A | 0.9722 | 0.4173 | 0.1511 | 0.116* | |
| H10B | 1.0288 | 0.4057 | 0.1912 | 0.116* | |
| H10C | 1.0255 | 0.3686 | 0.1360 | 0.116* | |
| C11 | 1.0495 (4) | 0.4506 (4) | 0.0638 (3) | 0.085 (2) | |
| H11A | 1.0616 | 0.4080 | 0.0549 | 0.128* | |
| H11B | 1.0774 | 0.4798 | 0.0459 | 0.128* | |
| H11C | 1.0068 | 0.4580 | 0.0519 | 0.128* | |
| C12 | 1.0783 (3) | 0.5968 (3) | 0.1081 (2) | 0.0502 (16) | |
| H12A | 1.0793 | 0.6333 | 0.1326 | 0.060* | |
| C13 | 1.1470 (3) | 0.5732 (4) | 0.1045 (3) | 0.069 (2) | |
| H13A | 1.1509 | 0.5437 | 0.0750 | 0.104* | |
| H13B | 1.1584 | 0.5527 | 0.1380 | 0.104* | |
| H13C | 1.1748 | 0.6086 | 0.0983 | 0.104* | |
| C14 | 1.0553 (4) | 0.6221 (4) | 0.0543 (3) | 0.093 (3) | |
| H14A | 1.0866 | 0.6501 | 0.0393 | 0.140* | |
| H14B | 1.0164 | 0.6448 | 0.0596 | 0.140* | |
| H14C | 1.0483 | 0.5875 | 0.0297 | 0.140* |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| P1 | 0.0229 (8) | 0.0301 (9) | 0.0245 (7) | −0.0001 (7) | −0.0025 (6) | −0.0018 (6) |
| Hg1 | 0.03668 (17) | 0.05346 (19) | 0.02979 (13) | 0.00074 (13) | −0.00920 (11) | −0.00648 (11) |
| P2 | 0.0269 (9) | 0.0513 (10) | 0.0249 (7) | 0.0046 (8) | −0.0005 (7) | −0.0113 (7) |
| Cl1 | 0.0625 (12) | 0.0856 (14) | 0.0479 (9) | 0.0170 (11) | −0.0108 (9) | 0.0162 (10) |
| Cl2 | 0.0628 (12) | 0.0618 (12) | 0.0547 (10) | −0.0097 (10) | −0.0096 (9) | −0.0179 (9) |
| B3 | 0.030 (4) | 0.032 (4) | 0.030 (3) | −0.008 (3) | −0.001 (3) | −0.006 (3) |
| B4 | 0.037 (4) | 0.052 (5) | 0.029 (3) | 0.002 (4) | 0.000 (3) | −0.018 (3) |
| B5 | 0.035 (4) | 0.062 (5) | 0.023 (3) | −0.005 (4) | 0.002 (3) | 0.009 (3) |
| B6 | 0.026 (4) | 0.033 (4) | 0.036 (3) | 0.001 (3) | 0.002 (3) | 0.011 (3) |
| B7 | 0.029 (4) | 0.056 (5) | 0.038 (4) | 0.006 (4) | −0.007 (3) | 0.009 (4) |
| B8 | 0.022 (4) | 0.060 (5) | 0.032 (3) | −0.008 (4) | −0.001 (3) | −0.005 (4) |
| B9 | 0.033 (4) | 0.061 (6) | 0.045 (4) | −0.005 (4) | −0.008 (4) | −0.020 (4) |
| B10 | 0.036 (5) | 0.093 (7) | 0.020 (3) | 0.003 (5) | −0.011 (3) | −0.012 (4) |
| B11 | 0.033 (4) | 0.075 (6) | 0.034 (4) | 0.006 (4) | −0.004 (3) | 0.028 (4) |
| B12 | 0.031 (4) | 0.089 (7) | 0.031 (4) | 0.003 (5) | −0.008 (3) | −0.008 (4) |
| C1 | 0.023 (3) | 0.038 (3) | 0.023 (2) | −0.001 (2) | 0.001 (2) | −0.002 (2) |
| C2 | 0.026 (3) | 0.037 (3) | 0.027 (2) | 0.004 (2) | 0.002 (2) | −0.003 (2) |
| C3 | 0.027 (3) | 0.040 (3) | 0.030 (3) | −0.008 (3) | 0.001 (2) | −0.002 (2) |
| C4 | 0.038 (4) | 0.068 (4) | 0.046 (3) | −0.004 (3) | 0.009 (3) | −0.001 (3) |
| C5 | 0.041 (4) | 0.066 (4) | 0.047 (3) | −0.018 (4) | 0.003 (3) | −0.005 (3) |
| C6 | 0.033 (3) | 0.045 (3) | 0.037 (3) | 0.005 (3) | −0.003 (3) | −0.004 (3) |
| C7 | 0.063 (4) | 0.039 (4) | 0.071 (4) | 0.007 (4) | −0.009 (4) | −0.002 (3) |
| C8 | 0.047 (4) | 0.064 (4) | 0.064 (4) | 0.017 (4) | −0.011 (3) | 0.002 (4) |
| C9 | 0.042 (3) | 0.060 (4) | 0.055 (3) | 0.010 (3) | −0.004 (3) | −0.021 (3) |
| C10 | 0.083 (5) | 0.054 (5) | 0.096 (5) | 0.018 (4) | −0.004 (5) | −0.028 (4) |
| C11 | 0.073 (5) | 0.109 (5) | 0.075 (4) | 0.014 (4) | 0.001 (4) | −0.052 (4) |
| C12 | 0.038 (3) | 0.073 (4) | 0.039 (3) | −0.003 (3) | 0.006 (3) | 0.000 (3) |
| C13 | 0.041 (4) | 0.105 (5) | 0.062 (4) | −0.007 (4) | 0.016 (3) | −0.015 (4) |
| C14 | 0.081 (5) | 0.142 (7) | 0.057 (4) | −0.012 (5) | 0.005 (4) | 0.029 (5) |
| P1—C6 | 1.856 (6) | B10—B12 | 1.739 (10) |
| P1—C3 | 1.865 (5) | B10—B11 | 1.778 (11) |
| P1—C1 | 1.896 (5) | B10—H10 | 1.1000 |
| Hg1—Cl1 | 2.4482 (17) | B11—B12 | 1.769 (10) |
| Hg1—Cl2 | 2.4542 (17) | B11—H11 | 1.1000 |
| Hg1—P1 | 2.5200 (10) | B12—H12 | 1.1000 |
| Hg1—P2 | 2.5242 (16) | C1—C2 | 1.694 (6) |
| P2—C9 | 1.836 (7) | C3—C5 | 1.507 (7) |
| P2—C12 | 1.851 (6) | C3—C4 | 1.531 (7) |
| P2—C2 | 1.899 (5) | C3—H3A | 0.9800 |
| B3—C1 | 1.691 (8) | C4—H4A | 0.9600 |
| B3—C2 | 1.693 (8) | C4—H4B | 0.9600 |
| B3—B8 | 1.783 (9) | C4—H4C | 0.9600 |
| B3—B4 | 1.795 (8) | C5—H5A | 0.9600 |
| B3—B9 | 1.798 (9) | C5—H5B | 0.9600 |
| B3—H3 | 1.1000 | C5—H5C | 0.9600 |
| B4—C1 | 1.722 (8) | C6—C7 | 1.523 (8) |
| B4—B10 | 1.752 (10) | C6—C8 | 1.532 (7) |
| B4—B5 | 1.763 (10) | C6—H6A | 0.9800 |
| B4—B9 | 1.764 (10) | C7—H7A | 0.9600 |
| B4—H4 | 1.1000 | C7—H7B | 0.9600 |
| B5—C1 | 1.713 (7) | C7—H7C | 0.9600 |
| B5—B10 | 1.743 (10) | C8—H8A | 0.9600 |
| B5—B11 | 1.745 (10) | C8—H8B | 0.9600 |
| B5—B6 | 1.797 (9) | C8—H8C | 0.9600 |
| B5—H5 | 1.1000 | C9—C10 | 1.507 (9) |
| B6—C2 | 1.673 (8) | C9—C11 | 1.548 (9) |
| B6—C1 | 1.674 (8) | C9—H9A | 0.9800 |
| B6—B7 | 1.793 (9) | C10—H10A | 0.9600 |
| B6—B11 | 1.797 (9) | C10—H10B | 0.9600 |
| B6—H6 | 1.1000 | C10—H10C | 0.9600 |
| B7—C2 | 1.701 (8) | C11—H11A | 0.9600 |
| B7—B8 | 1.775 (10) | C11—H11B | 0.9600 |
| B7—B12 | 1.778 (10) | C11—H11C | 0.9600 |
| B7—B11 | 1.781 (9) | C12—C14 | 1.507 (8) |
| B7—H7 | 1.1000 | C12—C13 | 1.537 (8) |
| B8—C2 | 1.711 (8) | C12—H12A | 0.9800 |
| B8—B9 | 1.756 (9) | C13—H13A | 0.9600 |
| B8—B12 | 1.770 (9) | C13—H13B | 0.9600 |
| B8—H8 | 1.1000 | C13—H13C | 0.9600 |
| B9—B10 | 1.748 (11) | C14—H14A | 0.9600 |
| B9—B12 | 1.765 (11) | C14—H14B | 0.9600 |
| B9—H9 | 1.1000 | C14—H14C | 0.9600 |
| C6—P1—C3 | 106.3 (3) | B9—B10—H10 | 121.1 |
| C6—P1—C1 | 109.1 (2) | B4—B10—H10 | 120.9 |
| C3—P1—C1 | 104.6 (2) | B11—B10—H10 | 121.8 |
| C6—P1—Hg1 | 115.26 (18) | B5—B11—B12 | 107.1 (5) |
| C3—P1—Hg1 | 117.07 (17) | B5—B11—B10 | 59.3 (4) |
| C1—P1—Hg1 | 103.73 (13) | B12—B11—B10 | 58.7 (4) |
| Cl1—Hg1—Cl2 | 104.81 (6) | B5—B11—B7 | 109.3 (5) |
| Cl1—Hg1—P1 | 109.29 (6) | B12—B11—B7 | 60.1 (4) |
| Cl2—Hg1—P1 | 119.90 (5) | B10—B11—B7 | 107.3 (5) |
| Cl1—Hg1—P2 | 119.51 (6) | B5—B11—B6 | 60.9 (4) |
| Cl2—Hg1—P2 | 112.06 (6) | B12—B11—B6 | 107.3 (4) |
| P1—Hg1—P2 | 91.82 (4) | B10—B11—B6 | 107.0 (5) |
| C9—P2—C12 | 107.0 (3) | B7—B11—B6 | 60.1 (4) |
| C9—P2—C2 | 110.2 (3) | B5—B11—H11 | 121.2 |
| C12—P2—C2 | 104.8 (3) | B12—B11—H11 | 122.6 |
| C9—P2—Hg1 | 114.7 (2) | B10—B11—H11 | 123.0 |
| C12—P2—Hg1 | 116.5 (2) | B7—B11—H11 | 121.1 |
| C2—P2—Hg1 | 103.19 (15) | B6—B11—H11 | 121.8 |
| C1—B3—C2 | 60.0 (3) | B10—B12—B9 | 59.8 (4) |
| C1—B3—B8 | 106.7 (5) | B10—B12—B11 | 60.9 (4) |
| C2—B3—B8 | 58.9 (4) | B9—B12—B11 | 108.3 (5) |
| C1—B3—B4 | 59.1 (3) | B10—B12—B8 | 107.9 (5) |
| C2—B3—B4 | 106.8 (5) | B9—B12—B8 | 59.6 (4) |
| B8—B3—B4 | 106.8 (5) | B11—B12—B8 | 108.1 (5) |
| C1—B3—B9 | 104.6 (5) | B10—B12—B7 | 109.1 (5) |
| C2—B3—B9 | 104.5 (5) | B9—B12—B7 | 108.0 (5) |
| B8—B3—B9 | 58.7 (4) | B11—B12—B7 | 60.3 (4) |
| B4—B3—B9 | 58.8 (4) | B8—B12—B7 | 60.0 (4) |
| C1—B3—H3 | 122.8 | B10—B12—H12 | 121.2 |
| C2—B3—H3 | 122.9 | B9—B12—H12 | 122.0 |
| B8—B3—H3 | 122.5 | B11—B12—H12 | 121.3 |
| B4—B3—H3 | 122.3 | B8—B12—H12 | 122.0 |
| B9—B3—H3 | 124.4 | B7—B12—H12 | 121.3 |
| C1—B4—B10 | 104.7 (5) | B6—C1—B3 | 112.3 (4) |
| C1—B4—B5 | 58.9 (3) | B6—C1—C2 | 59.6 (3) |
| B10—B4—B5 | 59.4 (4) | B3—C1—C2 | 60.0 (3) |
| C1—B4—B9 | 104.8 (4) | B6—C1—B5 | 64.1 (4) |
| B10—B4—B9 | 59.6 (4) | B3—C1—B5 | 113.7 (4) |
| B5—B4—B9 | 107.1 (5) | C2—C1—B5 | 109.8 (4) |
| C1—B4—B3 | 57.5 (3) | B6—C1—B4 | 114.8 (4) |
| B10—B4—B3 | 107.4 (5) | B3—C1—B4 | 63.5 (4) |
| B5—B4—B3 | 106.4 (5) | C2—C1—B4 | 110.2 (4) |
| B9—B4—B3 | 60.7 (4) | B5—C1—B4 | 61.8 (4) |
| C1—B4—H4 | 124.8 | B6—C1—P1 | 114.3 (4) |
| B10—B4—H4 | 122.6 | B3—C1—P1 | 120.3 (4) |
| B5—B4—H4 | 122.3 | C2—C1—P1 | 120.1 (3) |
| B9—B4—H4 | 122.2 | B5—C1—P1 | 119.0 (3) |
| B3—B4—H4 | 122.2 | B4—C1—P1 | 122.0 (3) |
| C1—B5—B10 | 105.4 (5) | B6—C2—C1 | 59.6 (3) |
| C1—B5—B11 | 105.5 (4) | B6—C2—B3 | 112.3 (4) |
| B10—B5—B11 | 61.3 (4) | C1—C2—B3 | 60.0 (3) |
| C1—B5—B4 | 59.4 (3) | B6—C2—B7 | 64.2 (4) |
| B10—B5—B4 | 60.0 (4) | C1—C2—B7 | 110.8 (4) |
| B11—B5—B4 | 109.5 (5) | B3—C2—B7 | 114.9 (5) |
| C1—B5—B6 | 56.9 (3) | B6—C2—B8 | 114.9 (4) |
| B10—B5—B6 | 108.6 (5) | C1—C2—B8 | 110.0 (4) |
| B11—B5—B6 | 61.0 (4) | B3—C2—B8 | 63.2 (4) |
| B4—B5—B6 | 107.0 (4) | B7—C2—B8 | 62.7 (4) |
| C1—B5—H5 | 124.9 | B6—C2—P2 | 119.3 (4) |
| B10—B5—H5 | 121.6 | C1—C2—P2 | 120.9 (3) |
| B11—B5—H5 | 120.9 | B3—C2—P2 | 115.9 (4) |
| B4—B5—H5 | 121.4 | B7—C2—P2 | 120.1 (3) |
| B6—B5—H5 | 122.3 | B8—C2—P2 | 118.6 (3) |
| C2—B6—C1 | 60.8 (3) | C5—C3—C4 | 111.4 (5) |
| C2—B6—B7 | 58.7 (3) | C5—C3—P1 | 110.6 (4) |
| C1—B6—B7 | 107.3 (5) | C4—C3—P1 | 116.1 (4) |
| C2—B6—B5 | 106.8 (5) | C5—C3—H3A | 106.0 |
| C1—B6—B5 | 59.0 (3) | C4—C3—H3A | 106.0 |
| B7—B6—B5 | 106.5 (5) | P1—C3—H3A | 106.0 |
| C2—B6—B11 | 105.0 (5) | C3—C4—H4A | 109.5 |
| C1—B6—B11 | 104.9 (5) | C3—C4—H4B | 109.5 |
| B7—B6—B11 | 59.5 (4) | H4A—C4—H4B | 109.5 |
| B5—B6—B11 | 58.1 (4) | C3—C4—H4C | 109.5 |
| C2—B6—H6 | 122.6 | H4A—C4—H4C | 109.5 |
| C1—B6—H6 | 122.3 | H4B—C4—H4C | 109.5 |
| B7—B6—H6 | 122.3 | C3—C5—H5A | 109.5 |
| B5—B6—H6 | 122.8 | C3—C5—H5B | 109.5 |
| B11—B6—H6 | 124.1 | H5A—C5—H5B | 109.5 |
| C2—B7—B8 | 58.9 (4) | C3—C5—H5C | 109.5 |
| C2—B7—B12 | 104.8 (5) | H5A—C5—H5C | 109.5 |
| B8—B7—B12 | 59.8 (4) | H5B—C5—H5C | 109.5 |
| C2—B7—B11 | 104.6 (5) | C7—C6—C8 | 108.3 (5) |
| B8—B7—B11 | 107.3 (5) | C7—C6—P1 | 114.6 (4) |
| B12—B7—B11 | 59.6 (4) | C8—C6—P1 | 106.7 (4) |
| C2—B7—B6 | 57.1 (3) | C7—C6—H6A | 109.0 |
| B8—B7—B6 | 106.1 (5) | C8—C6—H6A | 109.0 |
| B12—B7—B6 | 107.1 (5) | P1—C6—H6A | 109.0 |
| B11—B7—B6 | 60.4 (4) | C6—C7—H7A | 109.5 |
| C2—B7—H7 | 124.8 | C6—C7—H7B | 109.5 |
| B8—B7—H7 | 122.1 | H7A—C7—H7B | 109.5 |
| B12—B7—H7 | 122.5 | C6—C7—H7C | 109.5 |
| B11—B7—H7 | 122.3 | H7A—C7—H7C | 109.5 |
| B6—B7—H7 | 122.7 | H7B—C7—H7C | 109.5 |
| C2—B8—B9 | 105.5 (5) | C6—C8—H8A | 109.5 |
| C2—B8—B12 | 104.7 (5) | C6—C8—H8B | 109.5 |
| B9—B8—B12 | 60.1 (4) | H8A—C8—H8B | 109.5 |
| C2—B8—B7 | 58.4 (3) | C6—C8—H8C | 109.5 |
| B9—B8—B7 | 108.5 (5) | H8A—C8—H8C | 109.5 |
| B12—B8—B7 | 60.2 (4) | H8B—C8—H8C | 109.5 |
| C2—B8—B3 | 57.9 (3) | C10—C9—C11 | 108.6 (6) |
| B9—B8—B3 | 61.1 (4) | C10—C9—P2 | 113.6 (5) |
| B12—B8—B3 | 108.1 (5) | C11—C9—P2 | 106.2 (5) |
| B7—B8—B3 | 107.0 (5) | C10—C9—H9A | 109.4 |
| C2—B8—H8 | 124.9 | C11—C9—H9A | 109.4 |
| B9—B8—H8 | 121.4 | P2—C9—H9A | 109.4 |
| B12—B8—H8 | 122.3 | C9—C10—H10A | 109.5 |
| B7—B8—H8 | 121.7 | C9—C10—H10B | 109.5 |
| B3—B8—H8 | 121.8 | H10A—C10—H10B | 109.5 |
| B10—B9—B8 | 108.2 (6) | C9—C10—H10C | 109.5 |
| B10—B9—B4 | 59.9 (4) | H10A—C10—H10C | 109.5 |
| B8—B9—B4 | 109.4 (5) | H10B—C10—H10C | 109.5 |
| B10—B9—B12 | 59.4 (4) | C9—C11—H11A | 109.5 |
| B8—B9—B12 | 60.4 (4) | C9—C11—H11B | 109.5 |
| B4—B9—B12 | 108.0 (6) | H11A—C11—H11B | 109.5 |
| B10—B9—B3 | 107.5 (5) | C9—C11—H11C | 109.5 |
| B8—B9—B3 | 60.2 (4) | H11A—C11—H11C | 109.5 |
| B4—B9—B3 | 60.5 (3) | H11B—C11—H11C | 109.5 |
| B12—B9—B3 | 107.7 (5) | C14—C12—C13 | 111.6 (5) |
| B10—B9—H9 | 122.2 | C14—C12—P2 | 113.2 (5) |
| B8—B9—H9 | 120.9 | C13—C12—P2 | 114.5 (5) |
| B4—B9—H9 | 121.1 | C14—C12—H12A | 105.6 |
| B12—B9—H9 | 122.1 | C13—C12—H12A | 105.6 |
| B3—B9—H9 | 121.9 | P2—C12—H12A | 105.6 |
| B12—B10—B5 | 108.6 (5) | C12—C13—H13A | 109.5 |
| B12—B10—B9 | 60.8 (4) | C12—C13—H13B | 109.5 |
| B5—B10—B9 | 108.7 (5) | H13A—C13—H13B | 109.5 |
| B12—B10—B4 | 109.6 (5) | C12—C13—H13C | 109.5 |
| B5—B10—B4 | 60.6 (4) | H13A—C13—H13C | 109.5 |
| B9—B10—B4 | 60.5 (4) | H13B—C13—H13C | 109.5 |
| B12—B10—B11 | 60.4 (4) | C12—C14—H14A | 109.5 |
| B5—B10—B11 | 59.4 (4) | C12—C14—H14B | 109.5 |
| B9—B10—B11 | 108.7 (5) | H14A—C14—H14B | 109.5 |
| B4—B10—B11 | 108.5 (5) | C12—C14—H14C | 109.5 |
| B12—B10—H10 | 120.8 | H14A—C14—H14C | 109.5 |
| B5—B10—H10 | 121.6 | H14B—C14—H14C | 109.5 |
| Hg1—Cl1 | 2.4482 (17) | Hg1—P1 | 2.5200 (10) |
| Hg1—Cl2 | 2.4542 (17) | Hg1—P2 | 2.5242 (16) |
This work was supported by the National Natural Science Foundation of China (Project No. 20371025), the Open Research Fund Program of the Key Laboratory of Marine Drugs (Ocean University of China), the Ministry of Education [Project No. KLMD (OUC) 2004] and the Postgraduate Foundation of Taishan University (No. Yo6–2–10).
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The synthesis and structure of 1,2-(PiPr2)2-1,2-C2B10H10 was reported by Kivekäs et al. (1995). Since then, only a few complexes containing this ligand have been described, containing Pt(II) and Pd(II) (Paavola et al. (2002,2002a,b). We now report the structure of this ligand combined with HgII and chloride ions as the title compound, (I).
As shown in Fig. 1, The HgII atom in (I) is in a distorted HgCl2P2 tetrahedral coordination environment (Table 1). The Hg—P distances in (I) are longer than those of 2.3991Å in [Ph3PHgCl(µ-Cl)2ClHgPPh3] (Mariyatra et al., 2005). The Hg—Cl distances in (I) are also longer than the corresponding distance of 2.4015 (8)Å for in the Mariyatra et al. (2005) phase. The Cl—Hg—Cl angle in (I) of 104.81 (6) Å, is slight bigger than that of 101.19 (4)° in [(HgCl2)2((C6H11)3P)2] (Liu et al., 2004).
The chelation of the mercury(II) atom in (I) with phosphorus atoms and carbon atoms form a nearly planar five-membered ring with a maximum deviation of 0.033Å for C2. The torsion angle P1—C1—C2—P2 in (I) is 5.8 (6)°, which is smaller than that of 12.1 (2)° in the free ligand (Kivekas et al., 1995).