Information card for entry 4334567

Structure parameters

• Formula: C46 H76 Co3 N4 O18
• Calculated formula: C46 H76 Co3 N4 O18
• SMILES: c1cccc2CC[N]3(C)Cc4ccccc4[O]4[Co]53([n]12)([O]=C(O[Co]124([O]5C(=O)C)[O]3c4c(C[N]5(CCc6cccc[n]6[Co]35([O]=C(O1)C)([O]2C(=O)C)OC)C)cccc4)C)OC.CO.OC.OC.CO.CO.OC
• Title of publication: Phenolate- and Acetate (Both μ2-1,1 and μ2-1,3 Modes)-Bridged Linear CoII3 and CoII2MnII Trimers: Magnetostructural Studies
• Authors of publication: Anuj Kumar Sharma; Francesc Lloret; Rabindranath Mukherjee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4825 - 4833
• a: 9.453 ± 0.005 Å
• b: 11.049 ± 0.005 Å
• c: 13.381 ± 0.005 Å
• α: 80.237 ± 0.005°
• β: 82.414 ± 0.005°
• γ: 86.047 ± 0.005°
• Cell volume: 1363.7 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No