Information card for entry 2234263

Structure parameters

• Chemical name: Dichlorido(ethanol-κ<i>O</i>)[2-(1,3-thiazol-4-yl-κ<i>N</i>)-1<i>H</i>- benzimidazole-κ<i>N</i>^3^]copper(II)
• Formula: C12 H13 Cl2 Cu N3 O S
• Calculated formula: C12 H13 Cl2 Cu N3 O S
• SMILES: [Cu]1(Cl)(Cl)([OH]CC)[n]2c(c3[n]1c1ccccc1[nH]3)csc2
• Title of publication: Dichlorido(ethanol-κ<i>O</i>)[2-(1,3-thiazol-4-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]copper(II)
• Authors of publication: Li, Long; Diao, Kai-Sheng; Ding, Yu-Qiu; Tang, Jin-Niu; Wang, Dai-Yin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m508
• a: 13.928 ± 0.005 Å
• b: 7.473 ± 0.003 Å
• c: 16.653 ± 0.004 Å
• α: 90°
• β: 122.43 ± 0.02°
• γ: 90°
• Cell volume: 1463 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.045
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes