Information card for entry 4110765

Structure parameters

• Common name: Bis(3-bromopyridine)copper(II) chloride
• Formula: C10 H8 Br2 Cl2 Cu N2
• Calculated formula: C10 H8 Br2 Cl2 Cu N2
• SMILES: c1c(Br)ccc[n]1[Cu](Cl)(Cl)[n]1cc(ccc1)Br
• Title of publication: Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation
• Authors of publication: Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9584 - 9585
• a: 3.88094 ± 0.00028 Å
• b: 13.8371 ± 0.00092 Å
• c: 12.16111 ± 0.00084 Å
• α: 90°
• β: 91.4741 ± 0.0021°
• γ: 90°
• Cell volume: 652.85 ± 0.08 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• 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: 2.176
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No