Information card for entry 7206699

Structure parameters

• Formula: C12 H32 Br2 Co O10
• Calculated formula: C12 H32 Br2 Co O10
• SMILES: C1OCCOC1.C1OCCOC1.[OH2][Co]([OH2])(Br)([OH2])([OH2])Br.O1CCOCC1
• Title of publication: Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D
• Authors of publication: Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6801
• a: 6.4597 ± 0.0016 Å
• b: 9.033 ± 0.002 Å
• c: 9.738 ± 0.003 Å
• α: 105.54 ± 0.004°
• β: 98.341 ± 0.003°
• γ: 92.69 ± 0.003°
• Cell volume: 539.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0398
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No