Information card for entry 4325721

Structure parameters

• Formula: C57 H62 B3 Cu2 F12 N11 O12
• Calculated formula: C57 H62 B3.004 Cu2 F12.016 N11 O12
• 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: 10.7803 ± 0.0012 Å
• b: 11.4326 ± 0.0013 Å
• c: 15.2066 ± 0.0017 Å
• α: 78.649 ± 0.002°
• β: 70.449 ± 0.002°
• γ: 71.26 ± 0.002°
• Cell volume: 1664.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No