Information card for entry 7228089

Structure parameters

• Formula: C6 H44 N18 Nb6 O40 P4
• Calculated formula: C6 H36 N18 Nb6 O40 P4
• Title of publication: Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives
• Authors of publication: Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 11.1233 ± 0.0007 Å
• b: 20.126 ± 0.0012 Å
• c: 12.3589 ± 0.0008 Å
• α: 90°
• β: 115.745 ± 0.001°
• γ: 90°
• Cell volume: 2492.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0417
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No