Information card for entry 7001089

Structure parameters

• Formula: C20 H18 Cu2 F6 Mo N6 O2
• Calculated formula: C20 H18 Cu2 F6 Mo N6 O2
• 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: 9.399 ± 0.004 Å
• b: 17.16 ± 0.006 Å
• c: 7.441 ± 0.003 Å
• α: 90°
• β: 113.708 ± 0.008°
• γ: 90°
• Cell volume: 1098.9 ± 0.8 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: 0.0502
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No