Information card for entry 4336684

Structure parameters

• Formula: C32 H40 Cl Fe N4 Ni O11.7
• Calculated formula: C32 H40 Cl Fe N4 Ni O11.7
• Title of publication: Syntheses, Structures, Magnetic Properties, and Density Functional Theory Magneto-Structural Correlations of Bis(μ-phenoxo) and Bis(μ-phenoxo)-μ-acetate/Bis(μ-phenoxo)-bis(μ-acetate) Dinuclear FeIIINiII Compounds
• Authors of publication: Susanta Hazra; Sagarika Bhattacharya; Mukesh Kumar Singh; Luca Carrella; Eva Rentschler; Thomas Weyhermueller; Gopalan Rajaraman; Sasankasekhar Mohanta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12881 - 12892
• a: 11.7203 ± 0.0007 Å
• b: 16.0018 ± 0.0009 Å
• c: 22.9976 ± 0.0011 Å
• α: 90°
• β: 117.61 ± 0.003°
• γ: 90°
• Cell volume: 3821.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No