Information card for entry 7236264

Structure parameters

• Formula: C42 H42 Mo12 N9 Ni2 O43 P
• Calculated formula: C42 H42 Mo12 N9 Ni2 O43 P
• Title of publication: A series of organic‒inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties
• Authors of publication: Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 108
• Pages of publication: 106248
• a: 11.2559 ± 0.0004 Å
• b: 24.1685 ± 0.0011 Å
• c: 25.7463 ± 0.0009 Å
• α: 90°
• β: 100.287 ± 0.004°
• γ: 90°
• Cell volume: 6891.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No