Information card for entry 4326996

Structure parameters

• Formula: C23 H25 Co I2 N5 O4
• Calculated formula: C23 H25 Co I2 N5 O4
• SMILES: c12cccc3C(C)=[N]4NC(c5ccccc5)=[O][Co]54([n]23)([N](=C1C)NC(c1ccccc1)=[O]5)([OH2])I.O.[I-]
• Title of publication: Pentanuclear Cyanide-Bridged Complexes Based on Highly Anisotropic CoII Seven-Coordinate Building Blocks: Synthesis, Structure, and Magnetic Behavior
• Authors of publication: Luke J. Batchelor; Marco Sangalli; Régis Guillot; Nathalie Guihéry; Remi Maurice; Floriana Tuna; Talal Mallah
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12045 - 12052
• a: 8.0749 ± 0.0005 Å
• b: 14.2955 ± 0.0008 Å
• c: 22.8291 ± 0.0014 Å
• α: 90°
• β: 99.069 ± 0.002°
• γ: 90°
• Cell volume: 2602.3 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No