Information card for entry 4348242

Structure parameters

• Formula: C24 H20 Co N6 O14
• Calculated formula: C24 H20 Co N6 O14
• SMILES: [n]1([Co]([n]2ccccc2)([OH2])(OC(=O)c2cc(cc(c2)N(=O)=O)N(=O)=O)(OC(=O)c2cc(cc(c2)N(=O)=O)N(=O)=O)[OH2])ccccc1
• Title of publication: Two Polymorphic Forms of a Six-Coordinate Mononuclear Cobalt(II) Complex with Easy-Plane Anisotropy: Structural Features, Theoretical Calculations, and Field-Induced Slow Relaxation of the Magnetization.
• Authors of publication: Roy, Subhadip; Oyarzabal, Itziar; Vallejo, Julia; Cano, Joan; Colacio, Enrique; Bauza, Antonio; Frontera, Antonio; Kirillov, Alexander M.; Drew, Michael G. B.; Das, Subrata
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8502 - 8513
• a: 22.228 ± 0.004 Å
• b: 17.2 ± 0.004 Å
• c: 7.4727 ± 0.0016 Å
• α: 90°
• β: 97.205 ± 0.016°
• γ: 90°
• Cell volume: 2834.4 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No