Information card for entry 7001090

Structure parameters

• Formula: C20 H18 Cu2 F7 N6 Nb O
• Calculated formula: C20 H18 Cu2 F7 N6 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: 9.469 ± 0.006 Å
• b: 17.173 ± 0.01 Å
• c: 7.419 ± 0.005 Å
• α: 90°
• β: 112.57 ± 0.02°
• γ: 90°
• Cell volume: 1114 ± 1.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No