| Literature DB >> 21582740 |
Abstract
In the mol-ecule of the title compound, [Hg(NCS)(2)(C(26)H(20)Entities:
Year: 2009 PMID: 21582740 PMCID: PMC2969232 DOI: 10.1107/S1600536809023228
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Hg(NCS)2(C26H20N2)] | |
| Orthorhombic, | Mo |
| Hall symbol: -P 2n 2c | Cell parameters from 1276 reflections |
| θ = 1.7–29.3° | |
| µ = 6.10 mm−1 | |
| Needle, colorless | |
| 0.40 × 0.05 × 0.04 mm |
| Bruker SMART CCD area-detector diffractometer | 7051 independent reflections |
| Radiation source: fine-focus sealed tube | 4018 reflections with |
| graphite | |
| φ and ω scans | θmax = 29.3°, θmin = 1.7° |
| Absorption correction: multi-scan ( | |
| 56419 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 7051 reflections | (Δ/σ)max = 0.007 |
| 318 parameters | Δρmax = 2.55 e Å−3 |
| 0 restraints | Δρmin = −1.42 e Å−3 |
| 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 |
| Hg1 | 0.43243 (6) | 0.550529 (15) | 0.12578 (2) | 0.06252 (17) | |
| S1 | 0.1392 (5) | 0.51033 (16) | 0.1124 (2) | 0.092 (2) | |
| S2 | 0.6577 (4) | 0.47883 (13) | 0.13551 (15) | 0.0792 (11) | |
| N1 | 0.4970 (11) | 0.6275 (4) | 0.0798 (4) | 0.046 (2) | |
| N2 | 0.4592 (12) | 0.6271 (4) | 0.1742 (4) | 0.050 (2) | |
| N3 | −0.089 (2) | 0.5979 (7) | 0.1294 (11) | 0.103 (11) | |
| N4 | 0.451 (2) | 0.3831 (6) | 0.1223 (9) | 0.110 (8) | |
| C1 | 0.487 (2) | 0.5700 (6) | 0.0093 (6) | 0.077 (4) | |
| H1A | 0.5691 | 0.5442 | 0.0230 | 0.115* | |
| H1B | 0.5113 | 0.5736 | −0.0236 | 0.115* | |
| H1C | 0.3694 | 0.5567 | 0.0137 | 0.115* | |
| C2 | 0.5071 (14) | 0.6259 (5) | 0.0326 (5) | 0.054 (3) | |
| C3 | 0.5329 (15) | 0.6751 (6) | 0.0080 (5) | 0.059 (3) | |
| H3 | 0.5317 | 0.6737 | −0.0246 | 0.071* | |
| C4 | 0.5594 (12) | 0.7250 (4) | 0.0287 (4) | 0.045 (2) | |
| C5 | 0.5748 (13) | 0.7761 (5) | 0.0006 (4) | 0.051 (2) | |
| C6 | 0.6648 (16) | 0.7735 (6) | −0.0429 (5) | 0.070 (3) | |
| H6 | 0.7145 | 0.7403 | −0.0531 | 0.084* | |
| C7 | 0.677 (2) | 0.8214 (8) | −0.0698 (5) | 0.092 (5) | |
| H7 | 0.7444 | 0.8206 | −0.0970 | 0.110* | |
| C8 | 0.5951 (19) | 0.8693 (7) | −0.0578 (6) | 0.084 (5) | |
| H8 | 0.6002 | 0.8999 | −0.0777 | 0.101* | |
| C9 | 0.5032 (19) | 0.8728 (7) | −0.0158 (7) | 0.086 (5) | |
| H9 | 0.4500 | 0.9060 | −0.0068 | 0.103* | |
| C10 | 0.4923 (14) | 0.8254 (5) | 0.0126 (5) | 0.056 (3) | |
| H10 | 0.4279 | 0.8272 | 0.0403 | 0.068* | |
| C11 | 0.5596 (11) | 0.7257 (4) | 0.0793 (4) | 0.042 (2) | |
| C12 | 0.6003 (11) | 0.7739 (4) | 0.1072 (4) | 0.042 (2) | |
| H12 | 0.6380 | 0.8062 | 0.0923 | 0.050* | |
| C13 | 0.5857 (11) | 0.7738 (4) | 0.1538 (4) | 0.045 (2) | |
| H13 | 0.6155 | 0.8056 | 0.1706 | 0.053* | |
| C14 | 0.5246 (10) | 0.7252 (4) | 0.1785 (4) | 0.037 (2) | |
| C15 | 0.4939 (10) | 0.7233 (5) | 0.2277 (4) | 0.041 (2) | |
| C16 | 0.5052 (12) | 0.7738 (5) | 0.2579 (5) | 0.053 (3) | |
| C17 | 0.4287 (15) | 0.8247 (5) | 0.2438 (5) | 0.067 (3) | |
| H17 | 0.3757 | 0.8279 | 0.2145 | 0.080* | |
| C18 | 0.433 (2) | 0.8701 (6) | 0.2741 (7) | 0.084 (5) | |
| H18 | 0.3774 | 0.9031 | 0.2659 | 0.101* | |
| C19 | 0.521 (3) | 0.8660 (9) | 0.3164 (7) | 0.101 (7) | |
| H19 | 0.5305 | 0.8973 | 0.3355 | 0.121* | |
| C20 | 0.594 (2) | 0.8167 (9) | 0.3307 (6) | 0.091 (5) | |
| H20 | 0.6493 | 0.8142 | 0.3597 | 0.109* | |
| C21 | 0.5848 (15) | 0.7709 (7) | 0.3017 (4) | 0.072 (4) | |
| H21 | 0.6328 | 0.7373 | 0.3117 | 0.086* | |
| C22 | 0.4508 (15) | 0.6733 (5) | 0.2475 (4) | 0.053 (3) | |
| H22 | 0.4337 | 0.6713 | 0.2797 | 0.064* | |
| C23 | 0.4319 (14) | 0.6253 (4) | 0.2205 (4) | 0.053 (3) | |
| C24 | 0.388 (2) | 0.5713 (6) | 0.2421 (6) | 0.084 (4) | |
| H24A | 0.2707 | 0.5607 | 0.2335 | 0.127* | |
| H24B | 0.3963 | 0.5744 | 0.2756 | 0.127* | |
| H24C | 0.4697 | 0.5435 | 0.2313 | 0.127* | |
| C25 | 0.5027 (11) | 0.6756 (4) | 0.1536 (4) | 0.037 (2) | |
| C26 | 0.5208 (11) | 0.6759 (5) | 0.1032 (4) | 0.037 (2) | |
| C27 | 0.011 (2) | 0.5638 (6) | 0.1219 (9) | 0.098 (6) | |
| C28 | 0.5282 (17) | 0.4244 (5) | 0.1283 (7) | 0.077 (4) |
| Hg1 | 0.0714 (3) | 0.03722 (19) | 0.0789 (3) | −0.00113 (17) | 0.0051 (3) | 0.0002 (2) |
| S1 | 0.079 (2) | 0.0619 (19) | 0.126 (7) | −0.0174 (17) | −0.003 (3) | −0.026 (3) |
| S2 | 0.0708 (19) | 0.0547 (15) | 0.112 (3) | 0.0096 (13) | 0.006 (2) | 0.0001 (18) |
| N1 | 0.062 (5) | 0.038 (5) | 0.039 (6) | 0.002 (3) | −0.007 (4) | −0.004 (4) |
| N2 | 0.055 (5) | 0.036 (4) | 0.059 (7) | 0.006 (4) | 0.012 (4) | 0.008 (4) |
| N3 | 0.093 (10) | 0.077 (9) | 0.12 (3) | −0.007 (7) | −0.007 (14) | −0.034 (15) |
| N4 | 0.116 (11) | 0.066 (8) | 0.13 (2) | −0.012 (7) | 0.009 (14) | −0.015 (12) |
| C1 | 0.125 (11) | 0.048 (7) | 0.057 (9) | −0.001 (6) | −0.014 (7) | −0.013 (6) |
| C2 | 0.056 (6) | 0.056 (7) | 0.049 (8) | 0.007 (4) | −0.006 (5) | −0.010 (6) |
| C3 | 0.061 (7) | 0.080 (9) | 0.037 (7) | 0.001 (5) | −0.023 (5) | −0.004 (6) |
| C4 | 0.028 (4) | 0.062 (6) | 0.045 (6) | −0.004 (4) | −0.014 (4) | 0.002 (4) |
| C5 | 0.047 (5) | 0.060 (6) | 0.046 (6) | −0.015 (5) | −0.018 (5) | 0.012 (5) |
| C6 | 0.069 (8) | 0.095 (9) | 0.047 (8) | 0.000 (7) | −0.010 (6) | 0.020 (6) |
| C7 | 0.075 (9) | 0.142 (15) | 0.058 (9) | −0.016 (10) | −0.010 (7) | 0.036 (10) |
| C8 | 0.084 (10) | 0.099 (11) | 0.069 (10) | −0.026 (8) | −0.017 (8) | 0.045 (9) |
| C9 | 0.090 (10) | 0.071 (10) | 0.096 (14) | −0.011 (6) | −0.021 (8) | 0.038 (10) |
| C10 | 0.057 (6) | 0.061 (7) | 0.051 (8) | −0.012 (5) | −0.013 (5) | 0.017 (6) |
| C11 | 0.026 (4) | 0.044 (4) | 0.055 (6) | −0.004 (4) | −0.008 (4) | −0.001 (4) |
| C12 | 0.035 (5) | 0.043 (4) | 0.047 (6) | −0.003 (3) | −0.004 (4) | 0.007 (4) |
| C13 | 0.042 (5) | 0.048 (5) | 0.044 (6) | −0.009 (4) | −0.004 (4) | −0.004 (4) |
| C14 | 0.022 (4) | 0.054 (6) | 0.034 (6) | 0.001 (3) | 0.004 (3) | −0.001 (4) |
| C15 | 0.027 (4) | 0.054 (6) | 0.040 (6) | 0.004 (3) | 0.004 (3) | −0.004 (5) |
| C16 | 0.042 (5) | 0.066 (8) | 0.050 (8) | −0.007 (4) | 0.014 (4) | −0.008 (6) |
| C17 | 0.054 (6) | 0.061 (7) | 0.085 (10) | −0.005 (5) | 0.025 (7) | −0.017 (6) |
| C18 | 0.085 (9) | 0.072 (9) | 0.097 (13) | 0.004 (7) | 0.034 (9) | −0.025 (8) |
| C19 | 0.128 (14) | 0.098 (13) | 0.077 (13) | −0.047 (10) | 0.045 (10) | −0.047 (11) |
| C20 | 0.096 (11) | 0.127 (15) | 0.051 (9) | −0.026 (10) | 0.009 (7) | −0.037 (9) |
| C21 | 0.062 (7) | 0.115 (11) | 0.038 (7) | −0.011 (7) | 0.002 (6) | −0.010 (6) |
| C22 | 0.063 (6) | 0.055 (6) | 0.041 (6) | 0.003 (5) | 0.017 (5) | 0.007 (5) |
| C23 | 0.052 (6) | 0.048 (5) | 0.059 (8) | 0.005 (5) | 0.021 (6) | 0.010 (5) |
| C24 | 0.115 (11) | 0.063 (7) | 0.075 (10) | 0.005 (7) | 0.030 (8) | 0.029 (7) |
| C25 | 0.040 (5) | 0.034 (5) | 0.036 (7) | 0.006 (3) | −0.003 (4) | 0.000 (4) |
| C26 | 0.032 (4) | 0.047 (6) | 0.031 (5) | −0.004 (3) | −0.008 (3) | −0.005 (5) |
| C27 | 0.076 (8) | 0.055 (7) | 0.16 (2) | −0.011 (6) | −0.007 (10) | 0.037 (13) |
| C28 | 0.084 (8) | 0.055 (6) | 0.093 (11) | 0.002 (6) | 0.044 (8) | 0.020 (8) |
| Hg1—N2 | 2.309 (10) | C13—H13 | 0.9300 |
| Hg1—N1 | 2.320 (10) | C14—C25 | 1.397 (15) |
| Hg1—S2 | 2.443 (3) | C14—C15 | 1.425 (15) |
| Hg1—S1 | 2.456 (4) | C15—C22 | 1.366 (16) |
| C1—C2 | 1.505 (18) | C15—C16 | 1.491 (17) |
| C1—H1A | 0.9600 | C16—C21 | 1.390 (18) |
| C1—H1B | 0.9600 | C16—C17 | 1.412 (18) |
| C1—H1C | 0.9600 | C17—C18 | 1.391 (19) |
| C2—N1 | 1.349 (16) | C17—H17 | 0.9300 |
| C2—C3 | 1.389 (19) | C18—C19 | 1.38 (3) |
| C3—C4 | 1.351 (17) | C18—H18 | 0.9300 |
| C3—H3 | 0.9300 | C19—C20 | 1.37 (3) |
| C4—C11 | 1.445 (15) | C19—H19 | 0.9300 |
| C4—C5 | 1.470 (14) | C20—C21 | 1.38 (2) |
| C5—C10 | 1.385 (18) | C20—H20 | 0.9300 |
| C5—C6 | 1.416 (18) | C21—H21 | 0.9300 |
| C6—C7 | 1.387 (19) | C22—C23 | 1.395 (16) |
| C6—H6 | 0.9300 | C22—H22 | 0.9300 |
| C7—C8 | 1.35 (2) | C23—N2 | 1.337 (16) |
| C7—H7 | 0.9300 | C23—C24 | 1.476 (15) |
| C8—C9 | 1.39 (3) | C24—H24A | 0.9600 |
| C8—H8 | 0.9300 | C24—H24B | 0.9600 |
| C9—C10 | 1.401 (19) | C24—H24C | 0.9600 |
| C9—H9 | 0.9300 | C25—N2 | 1.346 (13) |
| C10—H10 | 0.9300 | C25—C26 | 1.446 (14) |
| C11—C26 | 1.408 (14) | C26—N1 | 1.353 (14) |
| C11—C12 | 1.438 (13) | C27—N3 | 1.14 (2) |
| C12—C13 | 1.334 (15) | C27—S1 | 1.635 (18) |
| C12—H12 | 0.9300 | C28—N4 | 1.17 (2) |
| C13—C14 | 1.441 (14) | C28—S2 | 1.648 (15) |
| N2—Hg1—N1 | 71.7 (3) | C13—C12—C11 | 122.2 (9) |
| N2—Hg1—S2 | 115.6 (2) | C13—C12—H12 | 118.9 |
| N1—Hg1—S2 | 118.6 (2) | C11—C12—H12 | 118.9 |
| N2—Hg1—S1 | 119.1 (2) | C12—C13—C14 | 121.0 (9) |
| N1—Hg1—S1 | 114.7 (3) | C12—C13—H13 | 119.5 |
| S2—Hg1—S1 | 112.00 (12) | C14—C13—H13 | 119.5 |
| C27—S1—Hg1 | 101.8 (5) | C25—C14—C15 | 116.9 (10) |
| C28—S2—Hg1 | 97.3 (5) | C25—C14—C13 | 118.9 (10) |
| C2—N1—C26 | 120.6 (11) | C15—C14—C13 | 124.1 (10) |
| C2—N1—Hg1 | 123.7 (8) | C22—C15—C14 | 118.4 (10) |
| C26—N1—Hg1 | 115.7 (8) | C22—C15—C16 | 119.4 (11) |
| C23—N2—C25 | 119.7 (10) | C14—C15—C16 | 122.2 (11) |
| C23—N2—Hg1 | 123.5 (7) | C21—C16—C17 | 118.6 (13) |
| C25—N2—Hg1 | 116.7 (8) | C21—C16—C15 | 120.2 (12) |
| C2—C1—H1A | 109.5 | C17—C16—C15 | 121.2 (12) |
| C2—C1—H1B | 109.5 | C18—C17—C16 | 119.4 (15) |
| H1A—C1—H1B | 109.5 | C18—C17—H17 | 120.3 |
| C2—C1—H1C | 109.5 | C16—C17—H17 | 120.3 |
| H1A—C1—H1C | 109.5 | C19—C18—C17 | 120.0 (16) |
| H1B—C1—H1C | 109.5 | C19—C18—H18 | 120.0 |
| N1—C2—C3 | 119.2 (12) | C17—C18—H18 | 120.0 |
| N1—C2—C1 | 117.3 (13) | C20—C19—C18 | 121.0 (15) |
| C3—C2—C1 | 123.4 (13) | C20—C19—H19 | 119.5 |
| C4—C3—C2 | 123.8 (12) | C18—C19—H19 | 119.5 |
| C4—C3—H3 | 118.1 | C19—C20—C21 | 119.6 (16) |
| C2—C3—H3 | 118.1 | C19—C20—H20 | 120.2 |
| C3—C4—C11 | 116.6 (10) | C21—C20—H20 | 120.2 |
| C3—C4—C5 | 120.9 (11) | C20—C21—C16 | 121.4 (15) |
| C11—C4—C5 | 122.4 (9) | C20—C21—H21 | 119.3 |
| C10—C5—C6 | 118.3 (11) | C16—C21—H21 | 119.3 |
| C10—C5—C4 | 122.8 (11) | C15—C22—C23 | 121.5 (11) |
| C6—C5—C4 | 118.7 (11) | C15—C22—H22 | 119.3 |
| C7—C6—C5 | 118.7 (14) | C23—C22—H22 | 119.3 |
| C7—C6—H6 | 120.6 | N2—C23—C22 | 120.3 (10) |
| C5—C6—H6 | 120.6 | N2—C23—C24 | 118.4 (11) |
| C8—C7—C6 | 122.3 (15) | C22—C23—C24 | 121.3 (12) |
| C8—C7—H7 | 118.8 | C23—C24—H24A | 109.5 |
| C6—C7—H7 | 118.8 | C23—C24—H24B | 109.5 |
| C7—C8—C9 | 120.1 (14) | H24A—C24—H24B | 109.5 |
| C7—C8—H8 | 120.0 | C23—C24—H24C | 109.5 |
| C9—C8—H8 | 120.0 | H24A—C24—H24C | 109.5 |
| C8—C9—C10 | 118.7 (17) | H24B—C24—H24C | 109.5 |
| C8—C9—H9 | 120.6 | N2—C25—C14 | 123.1 (11) |
| C10—C9—H9 | 120.6 | N2—C25—C26 | 117.5 (11) |
| C5—C10—C9 | 121.7 (14) | C14—C25—C26 | 119.3 (11) |
| C5—C10—H10 | 119.2 | N1—C26—C11 | 121.4 (11) |
| C9—C10—H10 | 119.2 | N1—C26—C25 | 118.3 (11) |
| C26—C11—C12 | 117.5 (10) | C11—C26—C25 | 120.3 (11) |
| C26—C11—C4 | 118.2 (9) | N3—C27—S1 | 174.3 (16) |
| C12—C11—C4 | 124.2 (9) | N4—C28—S2 | 173.6 (13) |
| N1—C2—C3—C4 | 4.2 (17) | C13—C14—C25—N2 | 174.8 (8) |
| C1—C2—C3—C4 | −176.6 (12) | C15—C14—C25—C26 | 176.0 (8) |
| C2—C3—C4—C11 | −0.2 (16) | C13—C14—C25—C26 | −7.5 (12) |
| C2—C3—C4—C5 | −176.2 (10) | C12—C11—C26—N1 | −173.9 (8) |
| C3—C4—C5—C10 | 136.4 (12) | C4—C11—C26—N1 | 5.0 (13) |
| C11—C4—C5—C10 | −39.3 (14) | C12—C11—C26—C25 | 7.1 (12) |
| C3—C4—C5—C6 | −37.8 (14) | C4—C11—C26—C25 | −174.1 (8) |
| C11—C4—C5—C6 | 146.5 (10) | N2—C25—C26—N1 | −1.4 (13) |
| C10—C5—C6—C7 | 4.6 (16) | C14—C25—C26—N1 | −179.3 (8) |
| C4—C5—C6—C7 | 179.1 (11) | N2—C25—C26—C11 | 177.7 (8) |
| C5—C6—C7—C8 | −5(2) | C14—C25—C26—C11 | −0.2 (13) |
| C6—C7—C8—C9 | 4(2) | C3—C2—N1—C26 | −3.5 (15) |
| C7—C8—C9—C10 | −2(2) | C1—C2—N1—C26 | 177.2 (10) |
| C6—C5—C10—C9 | −3.1 (16) | C3—C2—N1—Hg1 | 174.9 (7) |
| C4—C5—C10—C9 | −177.3 (11) | C1—C2—N1—Hg1 | −4.4 (13) |
| C8—C9—C10—C5 | 2(2) | C11—C26—N1—C2 | −1.1 (14) |
| C3—C4—C11—C26 | −4.2 (13) | C25—C26—N1—C2 | 178.0 (9) |
| C5—C4—C11—C26 | 171.7 (8) | C11—C26—N1—Hg1 | −179.6 (6) |
| C3—C4—C11—C12 | 174.6 (9) | C25—C26—N1—Hg1 | −0.6 (10) |
| C5—C4—C11—C12 | −9.6 (14) | N2—Hg1—N1—C2 | −177.1 (9) |
| C26—C11—C12—C13 | −6.5 (13) | S2—Hg1—N1—C2 | 73.2 (8) |
| C4—C11—C12—C13 | 174.7 (9) | S1—Hg1—N1—C2 | −62.8 (8) |
| C11—C12—C13—C14 | −1.2 (14) | N2—Hg1—N1—C26 | 1.4 (6) |
| C12—C13—C14—C25 | 8.4 (13) | S2—Hg1—N1—C26 | −108.3 (6) |
| C12—C13—C14—C15 | −175.4 (9) | S1—Hg1—N1—C26 | 115.6 (6) |
| C25—C14—C15—C22 | 2.0 (12) | C22—C23—N2—C25 | −1.0 (16) |
| C13—C14—C15—C22 | −174.3 (9) | C24—C23—N2—C25 | −178.7 (10) |
| C25—C14—C15—C16 | −177.3 (8) | C22—C23—N2—Hg1 | 179.9 (8) |
| C13—C14—C15—C16 | 6.4 (13) | C24—C23—N2—Hg1 | 2.2 (15) |
| C22—C15—C16—C21 | 42.1 (14) | C14—C25—N2—C23 | 1.3 (14) |
| C14—C15—C16—C21 | −138.7 (11) | C26—C25—N2—C23 | −176.5 (9) |
| C22—C15—C16—C17 | −134.9 (11) | C14—C25—N2—Hg1 | −179.6 (6) |
| C14—C15—C16—C17 | 44.4 (13) | C26—C25—N2—Hg1 | 2.7 (11) |
| C21—C16—C17—C18 | −0.7 (16) | N1—Hg1—N2—C23 | 177.0 (9) |
| C15—C16—C17—C18 | 176.3 (10) | S2—Hg1—N2—C23 | −69.4 (9) |
| C16—C17—C18—C19 | 3.7 (19) | S1—Hg1—N2—C23 | 68.4 (9) |
| C17—C18—C19—C20 | −4(2) | N1—Hg1—N2—C25 | −2.1 (6) |
| C18—C19—C20—C21 | 2(2) | S2—Hg1—N2—C25 | 111.4 (7) |
| C19—C20—C21—C16 | 1(2) | S1—Hg1—N2—C25 | −110.7 (7) |
| C17—C16—C21—C20 | −1.7 (17) | N2—Hg1—S1—C27 | 25.5 (10) |
| C15—C16—C21—C20 | −178.7 (11) | N1—Hg1—S1—C27 | −56.4 (10) |
| C14—C15—C22—C23 | −1.8 (15) | S2—Hg1—S1—C27 | 164.8 (9) |
| C16—C15—C22—C23 | 177.5 (10) | N2—Hg1—S2—C28 | 141.9 (7) |
| C15—C22—C23—N2 | 1.3 (17) | N1—Hg1—S2—C28 | −135.9 (7) |
| C15—C22—C23—C24 | 178.9 (11) | S1—Hg1—S2—C28 | 1.1 (7) |
| C15—C14—C25—N2 | −1.7 (12) |
| Hg1—N2 | 2.309 (10) |
| Hg1—N1 | 2.320 (10) |
| Hg1—S2 | 2.443 (3) |
| Hg1—S1 | 2.456 (4) |
| N2—Hg1—N1 | 71.7 (3) |
| N2—Hg1—S2 | 115.6 (2) |
| N1—Hg1—S2 | 118.6 (2) |
| N2—Hg1—S1 | 119.1 (2) |
| N1—Hg1—S1 | 114.7 (3) |
| S2—Hg1—S1 | 112.00 (12) |