Information card for entry 4110762

Structure parameters

• Formula: C10 H10 Cl6 Cu N2
• Calculated formula: C10 H10 Cl6 Cu N2
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].[nH+]1cc(Cl)ccc1.[nH+]1cc(Cl)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: 7.30931 ± 0.00017 Å
• b: 7.77643 ± 0.00018 Å
• c: 15.49792 ± 0.00037 Å
• α: 81.6898 ± 0.0014°
• β: 79.7745 ± 0.0016°
• γ: 69.3487 ± 0.0015°
• Cell volume: 807.99 ± 0.03 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: 1.111
• 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