Information card for entry 4501694

Structure parameters

• Formula: C28 H66 Cu4 N12 Nb6 O28
• Calculated formula: C28 H48 Cu4 N12 Nb6 O28
• Title of publication: Two-Dimensional Polyoxoniobates Constructed from Lindqvist-Type Hexaniobates Functionalized by Mixed Ligands
• Authors of publication: Niu, Jingyang; Fu, Xiao; Zhao, Junwei; Li, Suzhi; Ma, Pengtao; Wang, Jingping
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 3110
• a: 30.869 ± 0.0015 Å
• b: 13.7091 ± 0.0006 Å
• c: 14.6688 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6207.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No