Information card for entry 4329310

Structure parameters

• Formula: C18 H23 Cl15 Co2 O15
• Calculated formula: C18 H23 Cl15 Co2 O15
• SMILES: C1(C(Cl)(Cl)Cl)=[O][Co]2([OH2][Co]([OH2])(O1)([O]=C(C(Cl)(Cl)Cl)O2)(OC(=O)C(Cl)(Cl)Cl)[O]1CCCC1)([OH2])([O]1CCCC1)OC(=O)C(Cl)(Cl)Cl.C(=O)(C(Cl)(Cl)Cl)O
• 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: 13.8631 ± 0.0007 Å
• b: 14.3824 ± 0.0007 Å
• c: 23.227 ± 0.001 Å
• α: 80.651 ± 0.004°
• β: 77 ± 0.004°
• γ: 62.335 ± 0.005°
• Cell volume: 3987.5 ± 0.4 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: 0.0801
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No