Information card for entry 7217605

Structure parameters

• Formula: C12 H18 Cu N2 O8 P2
• Calculated formula: C12 H18 Cu N2 O8 P2
• Title of publication: Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties
• Authors of publication: Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 9104
• a: 16.906 ± 0.011 Å
• b: 8.996 ± 0.006 Å
• c: 12.435 ± 0.008 Å
• α: 90°
• β: 125.406 ± 0.012°
• γ: 90°
• Cell volume: 1541.5 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0628
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No