Information card for entry 7001088

Structure parameters

• Formula: C12 H16 Cu F5 N8 Nb O
• Calculated formula: C12 H16 Cu F5 N8 Nb O
• Title of publication: Organic‒inorganic hybrid chains and layers constructed from copper-amine cations and early transition metal (Nb, Mo) oxyfluoride anions
• Authors of publication: Mahenthirarajah, Thushitha; Li, Yang; Lightfoot, Philip
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 17
• Pages of publication: 3280 - 3285
• a: 10.31 ± 0.002 Å
• b: 12.941 ± 0.003 Å
• c: 15.038 ± 0.003 Å
• α: 90°
• β: 97.793 ± 0.007°
• γ: 90°
• Cell volume: 1987.9 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No