Information card for entry 4307828

Structure parameters

• Formula: C46 H70 Co N4 Ni2 O18
• Calculated formula: C46 H70 Co N4 Ni2 O18
• Title of publication: Phenolate- and Acetate (Both μ2-1,1 and μ2-1,3 Mode)-Bridged Face-Shared Trioctahedral Linear NiII3, NiII2MII (M = Mn, Co) Complexes: Ferro- and Antiferromagnetic Coupling
• Authors of publication: Anuj Kumar Sharma; Francesc Lloret; Rabindranath Mukherjee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5128 - 5130
• a: 9.4765 ± 0.001 Å
• b: 10.9764 ± 0.0011 Å
• c: 13.3235 ± 0.0014 Å
• α: 80.14 ± 0.002°
• β: 82.215 ± 0.002°
• γ: 86.197 ± 0.002°
• Cell volume: 1351.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No