Information card for entry 7109782

Structure parameters

• Formula: C24 H60 Br10 Cu10 S6
• Calculated formula: C24 H60 Br10 Cu10 S6
• Title of publication: Formation of an unprecedented (CuBr)5 cluster and a zeolite-type 2D-coordination polymer: a surprising halide effect
• Authors of publication: Antony Lapprand; Antoine Bonnot; Michael Knorr; Youann Rousselin; Marek M. Kubicki; Daniel Fortin
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8848
• a: 10.549 ± 0.0006 Å
• b: 13.509 ± 0.0006 Å
• c: 22.1288 ± 0.0012 Å
• α: 88.464 ± 0.002°
• β: 79.809 ± 0.002°
• γ: 77.017 ± 0.001°
• Cell volume: 3024.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No