Information card for entry 7217604

Structure parameters

• Formula: C20 H28 N2 Ni O10 P2
• Calculated formula: C20 H28 N2 Ni O10 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: 10.3161 ± 0.0014 Å
• b: 11.508 ± 0.003 Å
• c: 12.0717 ± 0.0016 Å
• α: 105.48 ± 0.003°
• β: 109.935 ± 0.002°
• γ: 101.391 ± 0.004°
• Cell volume: 1230.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0879
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No