Information card for entry 7206071

Structure parameters

• Formula: C10 H8 Br4 Cu N2
• Calculated formula: C10 H8 Br4 Cu N2
• SMILES: c1c[n]([Cu](Br)([n]2cc(ccc2)Br)Br)cc(c1)Br
• 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: 4.05818 ± 0.000052 Å
• b: 13.94699 ± 0.00017 Å
• c: 12.42233 ± 0.00017 Å
• α: 90°
• β: 90.6948 ± 0.0013°
• γ: 90°
• Cell volume: 703.045 ± 0.016 ų
• Cell temperature: 400 K
• Ambient diffraction temperature: 400 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Goodness-of-fit parameter for all reflections: 2.055
• 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