Information card for entry 4307829

Structure parameters

• Formula: C46 H68 N4 Ni3 O18
• Calculated formula: C46 H68 N4 Ni3 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: 9.468 ± 0.005 Å
• b: 10.98 ± 0.005 Å
• c: 13.28 ± 0.005 Å
• α: 80.237 ± 0.005°
• β: 82.486 ± 0.005°
• γ: 86.234 ± 0.005°
• Cell volume: 1347.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No