Information card for entry 2015377

Structure parameters

• Chemical name: (Glycylglycinato-κ^3^O,N,N')(2-methyl-1H-benzimidazole-κN^3^)copper(II) trihydrate
• Formula: C12 H20 Cu N4 O6
• Calculated formula: C12 H20 Cu N4 O6
• SMILES: [Cu]12([NH2]CC(=O)N1CC(=O)O2)[n]1c([nH]c2c1cccc2)C.O.O.O
• Title of publication: (Glycylglycinato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>')(2-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)copper(II) trihydrate
• Authors of publication: Li, Li; Zhu, Miao-Li; Lu, Li-Ping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m227 - m228
• a: 13.094 ± 0.005 Å
• b: 7.84 ± 0.003 Å
• c: 18.854 ± 0.005 Å
• α: 90°
• β: 126.182 ± 0.018°
• γ: 90°
• Cell volume: 1562.2 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes