Information card for entry 2014077

Structure parameters

• Chemical name: bis(2-aminomethyl-1H-benzimidazole-κ^2^N^2^,N^3^)dithiocyanatocopper(II)
• Formula: C10 H9 Cu N5 S2
• Calculated formula: C10 H9 Cu N5 S2
• SMILES: C(=N[Cu]1(N=C=S)[NH2]Cc2[n]1c1c(cccc1)[nH]2)=S
• Title of publication: A novel thiocyanate-bridged one-dimensional chain complex: [Cu(NCS)~2~(Hambi)] (Hambi is 2-aminomethyl-1<i>H</i>-benzimidazole)
• Authors of publication: Jiang, Yun-Bo; Kou, Hui-Zhong; Gao, Fei; Wang, Ru-Ji
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m261 - m262
• a: 9.522 ± 0.003 Å
• b: 12.707 ± 0.004 Å
• c: 10.757 ± 0.003 Å
• α: 90°
• β: 99.418 ± 0.006°
• γ: 90°
• Cell volume: 1284 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0985
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes