Information card for entry 4110766

Structure parameters

• Formula: C10 H10 Br2 Cl4 Cu N2
• Calculated formula: C10 H10 Br2 Cl4 Cu N2
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].[nH+]1cc(Br)ccc1.[nH+]1cc(Br)ccc1
• 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: 7.56821 ± 0.00022 Å
• b: 7.82283 ± 0.00022 Å
• c: 15.5551 ± 0.00044 Å
• α: 82.1012 ± 0.0015°
• β: 78.9087 ± 0.0017°
• γ: 67.0878 ± 0.0015°
• Cell volume: 830.44 ± 0.04 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 1.284
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.17464 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No