Information card for entry 2011703

Structure parameters

• Formula: C12 H24 Cl2 Cu S6
• Calculated formula: C12 H24 Cl2 Cu S6
• SMILES: [Cu]12(Cl)(Cl)([S]3CCSCC[S]4[Cu](Cl)(Cl)[S](CCSCC[S]1CC3)CC4)[S]1CCSCCSCCSCCSCC[S]2CC1
• Title of publication: <i>catena</i>-Poly[[<i>trans</i>-dichlorocopper(II)]-μ-1,4,7,10,13,16-hexathiacyclooctadecane-<i>S</i>^1^:<i>S</i>^10^]
• Authors of publication: Blake, Alexander J.; Lippolis, Vito; Parsons, Simon; Schröder, Martin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 36 - 37
• a: 8.9499 ± 0.0009 Å
• b: 14.5 ± 0.002 Å
• c: 7.7348 ± 0.0011 Å
• α: 90°
• β: 101.63 ± 0.01°
• γ: 90°
• Cell volume: 983.2 ± 0.2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.0981
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No