Information card for entry 4329311

Structure parameters

• Formula: C16 H22 Cl12 Co2 O13
• Calculated formula: C16 H22 Cl12 Co2 O13
• SMILES: C1(C(Cl)(Cl)Cl)=[O][Co]23([OH2][Co]4([O]=C(C(Cl)(Cl)Cl)O2)(O1)([O](CC[O]4C)C)OC(=O)C(Cl)(Cl)Cl)([O](CC[O]3C)C)OC(=O)C(Cl)(Cl)Cl
• Title of publication: Magnetooptical and Structural Investigations of Five Dimeric Cobalt(II) Complexes Mimicking Metalloenzyme Active Sites
• Authors of publication: Z. Tomkowicz; S. Ostrovsky; S. Foro; V. Calvo-Perez; W. Haase
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6046 - 6055
• a: 22.5438 ± 0.0006 Å
• b: 13.4588 ± 0.0005 Å
• c: 11.6256 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3527.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No