Information card for entry 4325724

Structure parameters

• Formula: C59 H66 B3 F12 N11 Ni2 O12
• Calculated formula: C59 H66 B3 F12 N11 Ni2 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: 11.079 ± 0.006 Å
• b: 34.385 ± 0.018 Å
• c: 35.122 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13380 ± 12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No