Information card for entry 4501693

Structure parameters

• Formula: C32 H71 Cu4 N12 Nb6 O30.5
• Calculated formula: C32 H32 Cu4 N12 Nb6 O30.5
• 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: 31.045 ± 0.002 Å
• b: 13.9893 ± 0.0011 Å
• c: 14.4513 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6276.2 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No