Information card for entry 7217607

Structure parameters

• Formula: C18 H18 N2 O6 P2 Zn
• Calculated formula: C18 H18 N2 O6 P2 Zn
• 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: 9.1979 ± 0.0007 Å
• b: 10.0023 ± 0.0009 Å
• c: 12.2994 ± 0.0009 Å
• α: 85.738 ± 0.003°
• β: 77.906 ± 0.002°
• γ: 65.089 ± 0.003°
• Cell volume: 1003.37 ± 0.14 ų
• Cell temperature: 275 ± 2 K
• Ambient diffraction temperature: 275 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No