Information card for entry 2223947

Structure parameters

• Chemical name: Bis(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)(thiocyanato- κ<i>N</i>)copper(II) chloride
• Formula: C13 H12 Cl Cu N9 S
• Calculated formula: C13 H12 Cl Cu N9 S
• SMILES: c1c[nH]c2[n]1[Cu]1([n]3c([nH]cc3)c3[n]1cc[nH]3)(N=C=S)[n]1c2[nH]cc1.[Cl-]
• Title of publication: Bis(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)(thiocyanato-κ<i>N</i>)copper(II) chloride
• Authors of publication: Ma, Qi; Meng, Shuang-Ming; Feng, Feng; Lu, Li-Ping; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1488 - m1489
• a: 12.9 ± 0.005 Å
• b: 9.442 ± 0.004 Å
• c: 12.888 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1569.8 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes