Information card for entry 4502554

Structure parameters

• Common name: [Cu(pyz)]2NbOF5
• Formula: C8 H8 Cu2 F6 N4 Nb
• Calculated formula: C8 H8 Cu2 F6 N4 Nb
• Title of publication: Microporosity, Optical Bandgap Sizes, and Photocatalytic Activity of M(I)-Nb(V) (M = Cu, Ag) Oxyfluoride Hybrids
• Authors of publication: Lin, Haisheng; Maggard, Paul A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 1323
• a: 6.6144 ± 0.0002 Å
• b: 7.0328 ± 0.0002 Å
• c: 13.3998 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 623.33 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0562
• 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