
Acta Cryst. (2013). E69, m87 [ doi:10.1107/S1600536812052051 ]
2-iodido-diiodidobis(
3-pyridine-2-thione-
3S:S:S)(
2-pyridine-2-thione-
2S:S)tricopper(I)]In the title compound, [Cu3I3(C5H5NS)3]n, a polymeric structure is formed along [100] through bridging iodide and pyridine-2-thione ligands. The metal atoms are engaged in [Cu3S3] and [Cu2S2] rings sharing Cu-S edges, with the [Cu2S2] rings located about inversion centers. CuI atoms bridged by iodide ions exhibit the shortest Cu
Cu separation in the polymer [2.8590 (14) Å]. The three independent CuI atoms all display distorted tetrahedral coordination geometries.
An oven-dried Schlenk tube was charged with CuI (0.4 mmol), and pyridine-2-thione (0.4 mmol). The tube was evacuated and backfilled with N2. The reaction mixture was stirred at 333 K for 4 h and then allowed to cool to room temperature. The insoluble residues were removed by filtration, and the filtrate was evaporated slowly at room temperature for about one month, to yield yellow crystals. Crystals suitable for single-crystal X-ray diffraction were selected directly from the sample as prepared.
All H atoms were placed in calculated positions and treated as riding on their parent atoms, with bond lengths fixed to 0.93 Å for C—H bonds and 0.86 Å for N—H bonds. Isotropic displacement parameters for H atoms were calculated as Uiso(H) = 1.2Ueq(carrier atom).
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).
| [Cu3I3(C5H5NS)3] | Z = 2 |
| Mr = 904.80 | F(000) = 840 |
| Triclinic, P1 | Dx = 2.581 Mg m−3 |
| Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
| a = 10.035 (1) Å | Cell parameters from 3445 reflections |
| b = 10.9220 (11) Å | θ = 2.2–26.0° |
| c = 12.2500 (15) Å | µ = 6.97 mm−1 |
| α = 105.956 (2)° | T = 298 K |
| β = 100.088 (3)° | Block, yellow |
| γ = 109.377 (3)° | 0.40 × 0.23 × 0.15 mm |
| V = 1164.1 (2) Å3 |
| Bruker SMART CCD diffractometer | 4009 independent reflections |
| Radiation source: fine-focus sealed tube | 3215 reflections with I > 2σ(I) |
| Graphite monochromator | Rint = 0.028 |
| φ and ω scans | θmax = 25.0°, θmin = 1.8° |
| Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −11→11 |
| Tmin = 0.167, Tmax = 0.421 | k = −12→12 |
| 6013 measured reflections | l = −14→10 |
| Refinement on F2 | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| R[F2 > 2σ(F2)] = 0.040 | Hydrogen site location: inferred from neighbouring sites |
| wR(F2) = 0.115 | H-atom parameters constrained |
| S = 1.06 | w = 1/[σ2(Fo2) + (0.0556P)2 + 2.5913P] where P = (Fo2 + 2Fc2)/3 |
| 4009 reflections | (Δ/σ)max < 0.001 |
| 244 parameters | Δρmax = 1.33 e Å−3 |
| 0 restraints | Δρmin = −1.45 e Å−3 |
| 0 constraints |
| [Cu3I3(C5H5NS)3] | γ = 109.377 (3)° |
| Mr = 904.80 | V = 1164.1 (2) Å3 |
| Triclinic, P1 | Z = 2 |
| a = 10.035 (1) Å | Mo Kα radiation |
| b = 10.9220 (11) Å | µ = 6.97 mm−1 |
| c = 12.2500 (15) Å | T = 298 K |
| α = 105.956 (2)° | 0.40 × 0.23 × 0.15 mm |
| β = 100.088 (3)° |
| Bruker SMART CCD diffractometer | 4009 independent reflections |
| Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 3215 reflections with I > 2σ(I) |
| Tmin = 0.167, Tmax = 0.421 | Rint = 0.028 |
| 6013 measured reflections | θmax = 25.0° |
| R[F2 > 2σ(F2)] = 0.040 | H-atom parameters constrained |
| wR(F2) = 0.115 | Δρmax = 1.33 e Å−3 |
| S = 1.06 | Δρmin = −1.45 e Å−3 |
| 4009 reflections | Absolute structure: ? |
| 244 parameters | Flack parameter: ? |
| 0 restraints | Rogers parameter: ? |
| x | y | z | Uiso*/Ueq | ||
| Cu1 | 0.48634 (11) | 0.50567 (10) | 0.61815 (8) | 0.0417 (3) | |
| Cu2 | 0.79614 (11) | 0.58824 (10) | 0.71789 (8) | 0.0432 (3) | |
| Cu3 | 0.14805 (12) | 0.65287 (11) | 0.57965 (8) | 0.0495 (3) | |
| I1 | 0.58333 (6) | 0.39571 (5) | 0.75952 (5) | 0.04314 (17) | |
| I2 | 0.95579 (7) | 0.79131 (6) | 0.91260 (5) | 0.0568 (2) | |
| I3 | 0.16049 (6) | 0.90228 (5) | 0.63917 (5) | 0.04906 (18) | |
| N1 | 0.1790 (7) | 0.0857 (6) | 0.3003 (6) | 0.0479 (17) | |
| H1 | 0.1089 | 0.1095 | 0.2766 | 0.057* | |
| N2 | 1.0746 (7) | 0.3244 (7) | 0.6514 (6) | 0.0422 (15) | |
| H2 | 1.0476 | 0.2886 | 0.5751 | 0.051* | |
| N3 | 0.3203 (7) | 0.7738 (6) | 0.8801 (5) | 0.0410 (15) | |
| H3 | 0.2341 | 0.7575 | 0.8377 | 0.049* | |
| S1 | 0.3069 (2) | 0.35003 (18) | 0.43695 (15) | 0.0328 (4) | |
| S2 | 0.9240 (2) | 0.4776 (2) | 0.61847 (16) | 0.0403 (5) | |
| S3 | 0.3492 (2) | 0.6317 (2) | 0.67672 (16) | 0.0422 (5) | |
| C1 | 0.3003 (8) | 0.1836 (7) | 0.3837 (6) | 0.0325 (16) | |
| C2 | 0.4146 (10) | 0.1418 (8) | 0.4198 (7) | 0.047 (2) | |
| H2A | 0.5022 | 0.2054 | 0.4778 | 0.057* | |
| C3 | 0.3937 (11) | 0.0047 (9) | 0.3675 (8) | 0.055 (2) | |
| H3A | 0.4690 | −0.0231 | 0.3900 | 0.066* | |
| C4 | 0.2641 (11) | −0.0914 (8) | 0.2828 (8) | 0.053 (2) | |
| H4 | 0.2506 | −0.1836 | 0.2491 | 0.063* | |
| C5 | 0.1579 (11) | −0.0491 (8) | 0.2500 (9) | 0.058 (2) | |
| H5 | 0.0695 | −0.1122 | 0.1926 | 0.069* | |
| C6 | 1.0204 (8) | 0.4156 (8) | 0.7040 (6) | 0.0360 (16) | |
| C7 | 1.0588 (9) | 0.4641 (8) | 0.8276 (7) | 0.0438 (19) | |
| H7 | 1.0206 | 0.5237 | 0.8674 | 0.053* | |
| C8 | 1.1536 (11) | 0.4235 (10) | 0.8911 (8) | 0.061 (3) | |
| H8 | 1.1787 | 0.4547 | 0.9736 | 0.073* | |
| C9 | 1.2119 (11) | 0.3342 (11) | 0.8293 (9) | 0.063 (3) | |
| H9 | 1.2795 | 0.3095 | 0.8705 | 0.075* | |
| C10 | 1.1695 (10) | 0.2871 (9) | 0.7138 (9) | 0.055 (2) | |
| H10 | 1.2054 | 0.2260 | 0.6729 | 0.066* | |
| C11 | 0.4100 (8) | 0.7287 (7) | 0.8249 (6) | 0.0334 (16) | |
| C12 | 0.5518 (9) | 0.7651 (8) | 0.8966 (7) | 0.045 (2) | |
| H12 | 0.6184 | 0.7385 | 0.8625 | 0.053* | |
| C13 | 0.5946 (11) | 0.8381 (9) | 1.0143 (8) | 0.061 (3) | |
| H13 | 0.6904 | 0.8635 | 1.0603 | 0.074* | |
| C14 | 0.4937 (11) | 0.8752 (9) | 1.0667 (7) | 0.056 (2) | |
| H14 | 0.5207 | 0.9219 | 1.1482 | 0.067* | |
| C15 | 0.3594 (11) | 0.8436 (9) | 0.9995 (7) | 0.053 (2) | |
| H15 | 0.2922 | 0.8689 | 1.0337 | 0.064* |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| Cu1 | 0.0459 (6) | 0.0397 (5) | 0.0395 (5) | 0.0245 (5) | 0.0052 (4) | 0.0097 (4) |
| Cu2 | 0.0466 (6) | 0.0423 (6) | 0.0382 (5) | 0.0235 (5) | 0.0080 (4) | 0.0064 (4) |
| Cu3 | 0.0618 (7) | 0.0513 (6) | 0.0355 (5) | 0.0371 (5) | 0.0002 (4) | 0.0065 (4) |
| I1 | 0.0422 (3) | 0.0431 (3) | 0.0480 (3) | 0.0177 (2) | 0.0081 (2) | 0.0245 (2) |
| I2 | 0.0619 (4) | 0.0487 (4) | 0.0412 (3) | 0.0151 (3) | 0.0040 (3) | 0.0043 (3) |
| I3 | 0.0481 (3) | 0.0371 (3) | 0.0573 (4) | 0.0208 (3) | 0.0090 (3) | 0.0095 (2) |
| N1 | 0.034 (4) | 0.029 (3) | 0.063 (4) | 0.009 (3) | 0.004 (3) | 0.004 (3) |
| N2 | 0.051 (4) | 0.043 (4) | 0.047 (4) | 0.030 (3) | 0.016 (3) | 0.024 (3) |
| N3 | 0.039 (4) | 0.037 (3) | 0.039 (3) | 0.015 (3) | 0.009 (3) | 0.005 (3) |
| S1 | 0.0351 (9) | 0.0281 (9) | 0.0313 (9) | 0.0152 (8) | 0.0038 (7) | 0.0058 (7) |
| S2 | 0.0494 (11) | 0.0546 (12) | 0.0292 (9) | 0.0364 (10) | 0.0111 (8) | 0.0142 (8) |
| S3 | 0.0396 (11) | 0.0502 (12) | 0.0335 (10) | 0.0285 (9) | 0.0024 (8) | 0.0026 (8) |
| C1 | 0.040 (4) | 0.032 (4) | 0.032 (4) | 0.021 (3) | 0.013 (3) | 0.011 (3) |
| C2 | 0.058 (5) | 0.038 (4) | 0.042 (4) | 0.023 (4) | 0.005 (4) | 0.012 (4) |
| C3 | 0.077 (6) | 0.048 (5) | 0.055 (5) | 0.043 (5) | 0.018 (5) | 0.020 (4) |
| C4 | 0.075 (6) | 0.029 (4) | 0.058 (5) | 0.026 (4) | 0.023 (5) | 0.013 (4) |
| C5 | 0.060 (6) | 0.026 (4) | 0.068 (6) | 0.009 (4) | 0.012 (5) | 0.002 (4) |
| C6 | 0.037 (4) | 0.040 (4) | 0.040 (4) | 0.019 (3) | 0.014 (3) | 0.021 (3) |
| C7 | 0.054 (5) | 0.046 (5) | 0.032 (4) | 0.021 (4) | 0.009 (3) | 0.017 (3) |
| C8 | 0.066 (6) | 0.066 (6) | 0.037 (5) | 0.010 (5) | −0.002 (4) | 0.030 (4) |
| C9 | 0.056 (6) | 0.072 (7) | 0.076 (7) | 0.032 (5) | 0.006 (5) | 0.049 (6) |
| C10 | 0.060 (6) | 0.057 (6) | 0.084 (7) | 0.044 (5) | 0.032 (5) | 0.046 (5) |
| C11 | 0.041 (4) | 0.023 (3) | 0.032 (4) | 0.012 (3) | 0.007 (3) | 0.007 (3) |
| C12 | 0.039 (4) | 0.044 (5) | 0.048 (5) | 0.027 (4) | 0.000 (3) | 0.009 (4) |
| C13 | 0.063 (6) | 0.049 (5) | 0.060 (6) | 0.029 (5) | −0.017 (5) | 0.013 (4) |
| C14 | 0.079 (7) | 0.045 (5) | 0.026 (4) | 0.012 (5) | 0.005 (4) | 0.007 (4) |
| C15 | 0.067 (6) | 0.044 (5) | 0.045 (5) | 0.015 (4) | 0.029 (5) | 0.012 (4) |
| Cu1—S3 | 2.315 (2) | S2—Cu3i | 2.290 (2) |
| Cu1—S1 | 2.356 (2) | S2—Cu3iii | 2.639 (3) |
| Cu1—S1i | 2.480 (2) | S3—C11 | 1.708 (7) |
| Cu1—I1 | 2.5917 (11) | C1—C2 | 1.414 (10) |
| Cu1—Cu2 | 2.8590 (14) | C2—C3 | 1.384 (11) |
| Cu1—Cu1i | 2.928 (2) | C2—H2A | 0.9300 |
| Cu2—S2 | 2.315 (2) | C3—C4 | 1.376 (13) |
| Cu2—S1i | 2.367 (2) | C3—H3A | 0.9300 |
| Cu2—I2 | 2.5632 (11) | C4—C5 | 1.337 (13) |
| Cu2—I1 | 2.6896 (12) | C4—H4 | 0.9300 |
| Cu3—S3 | 2.273 (2) | C5—H5 | 0.9300 |
| Cu3—S2i | 2.290 (2) | C6—C7 | 1.393 (10) |
| Cu3—I3 | 2.5726 (11) | C7—C8 | 1.385 (12) |
| Cu3—S2ii | 2.639 (3) | C7—H7 | 0.9300 |
| N1—C1 | 1.330 (9) | C8—C9 | 1.412 (14) |
| N1—C5 | 1.357 (10) | C8—H8 | 0.9300 |
| N1—H1 | 0.8600 | C9—C10 | 1.300 (13) |
| N2—C10 | 1.353 (10) | C9—H9 | 0.9300 |
| N2—C6 | 1.354 (9) | C10—H10 | 0.9300 |
| N2—H2 | 0.8600 | C11—C12 | 1.396 (10) |
| N3—C11 | 1.355 (9) | C12—C13 | 1.351 (12) |
| N3—C15 | 1.365 (10) | C12—H12 | 0.9300 |
| N3—H3 | 0.8600 | C13—C14 | 1.399 (13) |
| S1—C1 | 1.728 (7) | C13—H13 | 0.9300 |
| S1—Cu2i | 2.367 (2) | C14—C15 | 1.326 (13) |
| S1—Cu1i | 2.480 (2) | C14—H14 | 0.9300 |
| S2—C6 | 1.721 (7) | C15—H15 | 0.9300 |
| S3—Cu1—S1 | 95.70 (7) | Cu3i—S2—Cu3iii | 87.07 (8) |
| S3—Cu1—S1i | 109.08 (8) | Cu2—S2—Cu3iii | 112.17 (9) |
| S1—Cu1—S1i | 105.53 (6) | C11—S3—Cu3 | 112.4 (3) |
| S3—Cu1—I1 | 118.52 (7) | C11—S3—Cu1 | 113.8 (3) |
| S1—Cu1—I1 | 116.47 (6) | Cu3—S3—Cu1 | 133.81 (9) |
| S1i—Cu1—I1 | 110.13 (5) | N1—C1—C2 | 116.4 (6) |
| S3—Cu1—Cu2 | 126.14 (6) | N1—C1—S1 | 118.1 (5) |
| S1—Cu1—Cu2 | 135.86 (6) | C2—C1—S1 | 125.6 (6) |
| S1i—Cu1—Cu2 | 52.03 (5) | C3—C2—C1 | 118.9 (8) |
| I1—Cu1—Cu2 | 58.89 (3) | C3—C2—H2A | 120.6 |
| S3—Cu1—Cu1i | 110.90 (7) | C1—C2—H2A | 120.6 |
| S1—Cu1—Cu1i | 54.69 (6) | C4—C3—C2 | 121.5 (8) |
| S1i—Cu1—Cu1i | 50.84 (5) | C4—C3—H3A | 119.3 |
| I1—Cu1—Cu1i | 130.56 (5) | C2—C3—H3A | 119.3 |
| Cu2—Cu1—Cu1i | 93.24 (5) | C5—C4—C3 | 118.5 (7) |
| S2—Cu2—S1i | 97.69 (7) | C5—C4—H4 | 120.8 |
| S2—Cu2—I2 | 114.82 (7) | C3—C4—H4 | 120.8 |
| S1i—Cu2—I2 | 115.43 (6) | C4—C5—N1 | 120.0 (8) |
| S2—Cu2—I1 | 107.63 (7) | C4—C5—H5 | 120.0 |
| S1i—Cu2—I1 | 110.49 (6) | N1—C5—H5 | 120.0 |
| I2—Cu2—I1 | 110.04 (4) | N2—C6—C7 | 117.0 (7) |
| S2—Cu2—Cu1 | 120.62 (6) | N2—C6—S2 | 119.4 (5) |
| S1i—Cu2—Cu1 | 55.70 (5) | C7—C6—S2 | 123.3 (6) |
| I2—Cu2—Cu1 | 124.49 (4) | C8—C7—C6 | 120.0 (8) |
| I1—Cu2—Cu1 | 55.59 (3) | C8—C7—H7 | 120.0 |
| S3—Cu3—S2i | 110.21 (7) | C6—C7—H7 | 120.0 |
| S3—Cu3—I3 | 114.83 (7) | C7—C8—C9 | 119.3 (8) |
| S2i—Cu3—I3 | 118.15 (7) | C7—C8—H8 | 120.4 |
| S3—Cu3—S2ii | 104.12 (8) | C9—C8—H8 | 120.4 |
| S2i—Cu3—S2ii | 92.93 (8) | C10—C9—C8 | 119.0 (8) |
| I3—Cu3—S2ii | 113.75 (6) | C10—C9—H9 | 120.5 |
| Cu1—I1—Cu2 | 65.52 (3) | C8—C9—H9 | 120.5 |
| C1—N1—C5 | 124.8 (7) | C9—C10—N2 | 121.9 (8) |
| C1—N1—H1 | 117.6 | C9—C10—H10 | 119.1 |
| C5—N1—H1 | 117.6 | N2—C10—H10 | 119.1 |
| C10—N2—C6 | 122.8 (7) | N3—C11—C12 | 116.0 (7) |
| C10—N2—H2 | 118.6 | N3—C11—S3 | 120.9 (6) |
| C6—N2—H2 | 118.6 | C12—C11—S3 | 123.1 (6) |
| C11—N3—C15 | 123.5 (7) | C13—C12—C11 | 121.5 (8) |
| C11—N3—H3 | 118.3 | C13—C12—H12 | 119.2 |
| C15—N3—H3 | 118.3 | C11—C12—H12 | 119.2 |
| C1—S1—Cu1 | 117.6 (3) | C12—C13—C14 | 119.5 (8) |
| C1—S1—Cu2i | 111.4 (2) | C12—C13—H13 | 120.3 |
| Cu1—S1—Cu2i | 125.91 (8) | C14—C13—H13 | 120.3 |
| C1—S1—Cu1i | 104.9 (3) | C15—C14—C13 | 119.7 (8) |
| Cu1—S1—Cu1i | 74.47 (6) | C15—C14—H14 | 120.1 |
| Cu2i—S1—Cu1i | 72.26 (6) | C13—C14—H14 | 120.1 |
| C6—S2—Cu3i | 112.1 (3) | C14—C15—N3 | 119.7 (8) |
| C6—S2—Cu2 | 112.9 (3) | C14—C15—H15 | 120.1 |
| Cu3i—S2—Cu2 | 126.77 (9) | N3—C15—H15 | 120.1 |
| C6—S2—Cu3iii | 98.9 (3) | ||
| S3—Cu1—Cu2—S2 | −164.32 (10) | S2i—Cu3—S3—Cu1 | −1.65 (19) |
| S1—Cu1—Cu2—S2 | −6.01 (13) | I3—Cu3—S3—Cu1 | −138.06 (12) |
| S1i—Cu1—Cu2—S2 | −77.56 (9) | S2ii—Cu3—S3—Cu1 | 96.91 (15) |
| I1—Cu1—Cu2—S2 | 91.21 (8) | S1—Cu1—S3—C11 | 162.0 (3) |
| Cu1i—Cu1—Cu2—S2 | −45.38 (9) | S1i—Cu1—S3—C11 | −89.3 (3) |
| S3—Cu1—Cu2—S1i | −86.77 (10) | I1—Cu1—S3—C11 | 37.7 (3) |
| S1—Cu1—Cu2—S1i | 71.55 (11) | Cu2—Cu1—S3—C11 | −32.9 (3) |
| I1—Cu1—Cu2—S1i | 168.77 (6) | Cu1i—Cu1—S3—C11 | −143.7 (3) |
| Cu1i—Cu1—Cu2—S1i | 32.17 (6) | S1—Cu1—S3—Cu3 | −17.16 (16) |
| S3—Cu1—Cu2—I2 | 12.56 (11) | S1i—Cu1—S3—Cu3 | 91.46 (15) |
| S1—Cu1—Cu2—I2 | 170.87 (8) | I1—Cu1—S3—Cu3 | −141.50 (12) |
| S1i—Cu1—Cu2—I2 | 99.32 (7) | Cu2—Cu1—S3—Cu3 | 147.85 (12) |
| I1—Cu1—Cu2—I2 | −91.91 (5) | Cu1i—Cu1—S3—Cu3 | 37.13 (17) |
| Cu1i—Cu1—Cu2—I2 | 131.49 (6) | C5—N1—C1—C2 | 0.8 (12) |
| S3—Cu1—Cu2—I1 | 104.47 (9) | C5—N1—C1—S1 | 179.9 (7) |
| S1—Cu1—Cu2—I1 | −97.22 (9) | Cu1—S1—C1—N1 | 162.9 (5) |
| S1i—Cu1—Cu2—I1 | −168.77 (6) | Cu2i—S1—C1—N1 | −40.6 (7) |
| Cu1i—Cu1—Cu2—I1 | −136.59 (5) | Cu1i—S1—C1—N1 | −117.0 (6) |
| S3—Cu1—I1—Cu2 | −117.13 (8) | Cu1—S1—C1—C2 | −18.1 (8) |
| S1—Cu1—I1—Cu2 | 129.49 (7) | Cu2i—S1—C1—C2 | 138.4 (6) |
| S1i—Cu1—I1—Cu2 | 9.41 (5) | Cu1i—S1—C1—C2 | 61.9 (7) |
| Cu1i—Cu1—I1—Cu2 | 64.56 (7) | N1—C1—C2—C3 | 0.0 (12) |
| S2—Cu2—I1—Cu1 | −115.48 (6) | S1—C1—C2—C3 | −179.0 (7) |
| S1i—Cu2—I1—Cu1 | −9.89 (5) | C1—C2—C3—C4 | −0.9 (14) |
| I2—Cu2—I1—Cu1 | 118.74 (4) | C2—C3—C4—C5 | 1.1 (15) |
| S3—Cu1—S1—C1 | −149.4 (3) | C3—C4—C5—N1 | −0.3 (15) |
| S1i—Cu1—S1—C1 | 99.0 (3) | C1—N1—C5—C4 | −0.7 (15) |
| I1—Cu1—S1—C1 | −23.6 (3) | C10—N2—C6—C7 | −4.2 (12) |
| Cu2—Cu1—S1—C1 | 48.0 (3) | C10—N2—C6—S2 | 169.9 (7) |
| Cu1i—Cu1—S1—C1 | 99.0 (3) | Cu3i—S2—C6—N2 | 15.5 (7) |
| S3—Cu1—S1—Cu2i | 57.90 (12) | Cu2—S2—C6—N2 | 166.3 (5) |
| S1i—Cu1—S1—Cu2i | −53.73 (9) | Cu3iii—S2—C6—N2 | −75.0 (6) |
| I1—Cu1—S1—Cu2i | −176.24 (7) | Cu3i—S2—C6—C7 | −170.8 (6) |
| Cu2—Cu1—S1—Cu2i | −104.64 (10) | Cu2—S2—C6—C7 | −20.0 (8) |
| Cu1i—Cu1—S1—Cu2i | −53.73 (9) | Cu3iii—S2—C6—C7 | 98.7 (7) |
| S3—Cu1—S1—Cu1i | 111.63 (8) | N2—C6—C7—C8 | 2.8 (12) |
| S1i—Cu1—S1—Cu1i | 0.0 | S2—C6—C7—C8 | −171.0 (7) |
| I1—Cu1—S1—Cu1i | −122.51 (6) | C6—C7—C8—C9 | 0.7 (14) |
| Cu2—Cu1—S1—Cu1i | −50.91 (9) | C7—C8—C9—C10 | −3.2 (15) |
| S1i—Cu2—S2—C6 | 179.4 (3) | C8—C9—C10—N2 | 2.0 (15) |
| I2—Cu2—S2—C6 | 56.7 (3) | C6—N2—C10—C9 | 1.8 (14) |
| I1—Cu2—S2—C6 | −66.2 (3) | C15—N3—C11—C12 | −3.8 (11) |
| Cu1—Cu2—S2—C6 | −126.1 (3) | C15—N3—C11—S3 | 175.5 (6) |
| S1i—Cu2—S2—Cu3i | −34.96 (14) | Cu3—S3—C11—N3 | 19.6 (7) |
| I2—Cu2—S2—Cu3i | −157.63 (10) | Cu1—S3—C11—N3 | −159.8 (5) |
| I1—Cu2—S2—Cu3i | 79.47 (13) | Cu3—S3—C11—C12 | −161.2 (6) |
| Cu1—Cu2—S2—Cu3i | 19.54 (16) | Cu1—S3—C11—C12 | 19.4 (8) |
| S1i—Cu2—S2—Cu3iii | 68.67 (9) | N3—C11—C12—C13 | 1.5 (12) |
| I2—Cu2—S2—Cu3iii | −54.00 (9) | S3—C11—C12—C13 | −177.8 (7) |
| I1—Cu2—S2—Cu3iii | −176.90 (5) | C11—C12—C13—C14 | 1.7 (14) |
| Cu1—Cu2—S2—Cu3iii | 123.16 (7) | C12—C13—C14—C15 | −2.8 (14) |
| S2i—Cu3—S3—C11 | 179.1 (3) | C13—C14—C15—N3 | 0.7 (14) |
| I3—Cu3—S3—C11 | 42.7 (3) | C11—N3—C15—C14 | 2.7 (13) |
| S2ii—Cu3—S3—C11 | −82.3 (3) |
| Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x−1, y, z; (iii) x+1, y, z. |
| Cu1—S3 | 2.315 (2) | Cu2—S1i | 2.367 (2) |
| Cu1—S1 | 2.356 (2) | Cu2—I2 | 2.5632 (11) |
| Cu1—S1i | 2.480 (2) | Cu2—I1 | 2.6896 (12) |
| Cu1—I1 | 2.5917 (11) | Cu3—S3 | 2.273 (2) |
| Cu1—Cu2 | 2.8590 (14) | Cu3—S2i | 2.290 (2) |
| Cu1—Cu1i | 2.928 (2) | Cu3—I3 | 2.5726 (11) |
| Cu2—S2 | 2.315 (2) | Cu3—S2ii | 2.639 (3) |
| Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x−1, y, z. |
The authors thank the Fujian Provincial Foundation (2012-J05150) and the Research Fund of Fujian Medical University (2011BS006) for financial support.
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The coordination chemistry of Cu(I) is of considerable interest because these complexes have luminescence properties, antimicrobial activity, and potential applications in catalysis, photography, and electrochemical processes (Kitagawa et al., 1990; Raper, 1996, 1997). On the other hand, pyridine-2-thiolate can bind to a metal or a group of metals via a variety of bonding modes, and this versatility is attributed to the size of the S atom and its proximity to the pyridyl N atom (García-Vázquez et al., 1999; Akrivos, 2001; Lobana et al., 2002). The large size of the S atom makes it easier to adopt different coordination angles in complexes, which is necessary in order to match different geometries.
We report here the crystal structure of the title compound, which displays a polymeric chain structure (Fig. 1 and 2). The polymer is isoformular, although not isostructural to that previously described by Lobana et al. (2003). Two sulfur atoms S1 and S2 act as µ3-S donor atoms, while S3 acts as a µ2-S donor atom. There are three independent Cu atoms in the asymmetric unit; Cu1 and Cu3 are coordinated to S1, S3, I1, S1i and S3, I3, S2i, S2ii, respectively. Atom Cu2 is coordinated to I1, I2, S2 and S1i (symmetry codes: i: 1-x, 1-y, 1-z; ii: x-1, y, z). From bond lengths and angles around Cu centers, these metals are placed in a distorted tetrahedral coordination geometry. Moreover, metal–metal interactions are observed, with Cu1···Cu1i and Cu1···Cu2 separations of 2.928 and 2.859 Å, shorter than metal–metal contacts in the isoformular polymer (Lobana et al., 2003).