Information card for entry 4325283

Structure parameters

• Formula: C64 H68 Cl2 Co N12
• Calculated formula: C64 H76 Cl2 Co N12
• Title of publication: Magnetic Properties after Irradiation of 1:4 Complexes Consisting of CoX2, X = NCS-, Cl-, and NCO-, and Phenylpyridyldiazomethane in Dilute Frozen Solutions: Axial Ligand Effect in Heterospin Single-Molecule Magnets
• Authors of publication: Satoru Karasawa; Noboru Koga
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5186 - 5195
• a: 11.6865 ± 0.001 Å
• b: 22.137 ± 0.0019 Å
• c: 23.058 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5965.2 ± 0.9 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.3033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No