Information card for entry 7037239

Structure parameters

• Formula: C8 H20 Br2 Cu O6
• Calculated formula: C8 H20 Br2 Cu O6
• SMILES: C1OCCOC1.C1OCCOC1.[OH2][Cu](Br)([OH2])Br
• Title of publication: Crystal-to-crystal transformation from a chain compound to a layered coordination polymer.
• Authors of publication: Shi, Jinbiao; Zhang, Yan; Zhang, Bin; Zhu, Daoben
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 89 - 92
• a: 5.5714 ± 0.0017 Å
• b: 6.978 ± 0.002 Å
• c: 10.303 ± 0.003 Å
• α: 103.643 ± 0.003°
• β: 101.225 ± 0.003°
• γ: 101.936 ± 0.005°
• Cell volume: 368.14 ± 0.19 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: 0.0238
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No