Information card for entry 7113915

Structure parameters

• Formula: C24 H97 Cu4 N16 Nb12 O57 P V6
• Calculated formula: C24 H80 Cu4 N16 Nb12 O57 P V6
• Title of publication: Polyoxoniobate-based 3D framework materials with photocatalytic hydrogen evolution activity
• Authors of publication: Jian-Qiang Shen; Ying Zhang; Zhi-Ming Zhang; Yang-Guang Li; Yan-Qing Gao; En-Bo Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6017
• a: 15.229 ± 0.002 Å
• b: 15.229 ± 0.002 Å
• c: 19.207 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4454.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.2105
• Weighted residual factors for all reflections included in the refinement: 0.2226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No