Information card for entry 7218290

Structure parameters

• Formula: C28 H44 N6 Ni3 O22 P4
• Calculated formula: C28 H44 N6 Ni3 O22 P4
• Title of publication: Synthesis, structures, surface photovoltage and luminescent properties of two new nickel(II) carboxyphosphonates with a 3D framework structure
• Authors of publication: Luo, Hui; Zhu, Yanyu; Sun, Zhen-Gang; Jiao, Cheng‒Qi; Zhang, Guang-Ning; Sun, Tong; Ma, Ming-Xue; Li, Wen-Zhu
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 27.79 ± 0.003 Å
• b: 8.1036 ± 0.0007 Å
• c: 22.617 ± 0.002 Å
• α: 90°
• β: 123.129 ± 0.001°
• γ: 90°
• Cell volume: 4265.4 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0764
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.2091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No