Information card for entry 7113914

Structure parameters

• Formula: C16 H80 Cu4 N16 Nb12 O59 P V6
• Calculated formula: C16 H64 Cu4 N16 Nb12 O59 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: 15.141 ± 0.002 Å
• b: 15.141 ± 0.002 Å
• c: 19.257 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4414.7 ± 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: 0.0746
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No