Information card for entry 2201060

Structure parameters

• Chemical name: Bis(1,1-dimethylbiguanido)copper(II) octahydrate
• Formula: C8 H36 Cu N10 O8
• Calculated formula: C8 H36 Cu N10 O8
• SMILES: C1(=[NH][Cu]2(NC(=N1)N)NC(=NC(=[NH]2)N)N(C)C)N(C)C.O.O.O.O.O.O.O.O
• Title of publication: Bis(1,1-dimethylbiguanido)copper(II) octahydrate
• Authors of publication: Zhu, Miaoli; Lu, Liping; Yang, Pin; Jin, Xianglin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m217 - m219
• a: 23.561 ± 0.005 Å
• b: 6.952 ± 0.001 Å
• c: 13.297 ± 0.003 Å
• α: 90°
• β: 105.95 ± 0.03°
• γ: 90°
• Cell volume: 2094.1 ± 0.8 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: 0.038
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes