Information card for entry 7206073

Structure parameters

• Formula: C10 H10 Br6 Cu N2
• Calculated formula: C10 H10 Br6 Cu N2
• SMILES: [Cu](Br)(Br)([Br-])[Br-].[nH+]1cc(Br)ccc1.[nH+]1cc(Br)ccc1
• Title of publication: Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas
• Authors of publication: Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 4400
• a: 6.58904 ± 0.000079 Å
• b: 8.60622 ± 0.00011 Å
• c: 16.25227 ± 0.00021 Å
• α: 89.7895 ± 0.001°
• β: 89.4785 ± 0.00091°
• γ: 79.0643 ± 0.0011°
• Cell volume: 904.84 ± 0.02 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 3.839
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.99937 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No