Information card for entry 4325720

Structure parameters

• Formula: C47 H58.7 B3 Cu2 F12 N9 O13.35
• Calculated formula: C47 H56 B3 Cu2 F12 N9 O13.352
• Title of publication: Cyano-bridged Homodinuclear Copper(II) Complexes
• Authors of publication: Mihail Atanasov; Peter Comba; Graeme R. Hanson; Sascha Hausberg; Stefan Helmle; Hubert Wadepohl
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6890 - 6901
• a: 10.9269 ± 0.0014 Å
• b: 32.212 ± 0.004 Å
• c: 17.67 ± 0.002 Å
• α: 90°
• β: 91.066 ± 0.002°
• γ: 90°
• Cell volume: 6218.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1026
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1929
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No