Information card for entry 4329308

Structure parameters

• Formula: C20 H38 Cl12 Co2 O15
• Calculated formula: C20 H38 Cl12 Co2 O15
• SMILES: [Co]12([OH2][Co]([O]=C(O1)C(Cl)(Cl)Cl)(OC(=[O]2)C(Cl)(Cl)Cl)([OH2])([OH]C(C)C)OC(=O)C(Cl)(Cl)Cl)([OH2])([OH]C(C)C)OC(=O)C(Cl)(Cl)Cl.OC(C)C.OC(C)C
• 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: 14.5812 ± 0.0008 Å
• b: 15.3195 ± 0.0009 Å
• c: 21.85 ± 0.001 Å
• α: 94.468 ± 0.004°
• β: 96.225 ± 0.001°
• γ: 116.418 ± 0.006°
• Cell volume: 4301.5 ± 0.5 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: 0.0617
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No