Information card for entry 7219737

Structure parameters

• Formula: C9 H19 N2 Ni1.5 O9 P2
• Calculated formula: C9 H19 N2 Ni1.5 O9 P2
• Title of publication: Mixed‒solvothermal synthesis, structures, surface photovoltage, luminescence and molecular recognition properties of three new transition metal phosphonates with 3D framework and supramolecular structures
• Authors of publication: Sun, Tong; Jiao, Cheng‒Qi; Li, Wen-Zhu; Sun, Zhen-Gang; Ma, Chao; Zhu, Yanyu; Ma, Ming-Xue; Luo, Hui; Zhang, Xiao-Wen; Wang, Mei-Ling
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 18.7958 ± 0.0009 Å
• b: 8.2622 ± 0.0004 Å
• c: 18.855 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2928.1 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No