Information card for entry 4500364

Structure parameters

• Formula: C60 H52 N12 Nb10 Ni3 O30
• Calculated formula: C60 H48 N12 Nb10 Ni3 O30
• Title of publication: Zero- or One-Dimensional Organic−Inorganic Hybrid Polyoxoniobates Constructed from Decaniobate Units and Transition-Metal Complexes
• Authors of publication: Niu, Jingyang; Wang, Guan; Zhao, Junwei; Sui, Yunxia; Ma, Pengtao; Wang, Jingping
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 1253
• a: 24.25 ± 0.007 Å
• b: 18.765 ± 0.006 Å
• c: 17.72 ± 0.005 Å
• α: 90°
• β: 107.673 ± 0.004°
• γ: 90°
• Cell volume: 7683 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0263
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No