Information card for entry 2014001

Structure parameters

• Chemical name: Bis(1,1-dimethylbiguanido)copper(II) hydrate
• Formula: C8 H22 Cu N10 O
• Calculated formula: C8 H22 Cu N10 O
• SMILES: C1(=NC(=[NH][Cu]2(N1)NC(=NC(=[NH]2)N(C)C)N)N)N(C)C.O
• Title of publication: Bis[1,1-dimethylbiguanide(1‒)-κ^2^<i>N</i>^2^,<i>N</i>^5^]copper(II) monohydrate
• Authors of publication: Lu, Liping; Yang, pin; Qin, shidong; Zhu, Miaoli
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m219 - m220
• a: 30.535 ± 0.006 Å
• b: 7.055 ± 0.001 Å
• c: 13.746 ± 0.003 Å
• α: 90°
• β: 109.18 ± 0.03°
• γ: 90°
• Cell volume: 2796.8 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes