Information card for entry 4316001

Structure parameters

• Formula: C12 H30 Cu4 I4 S3
• Calculated formula: C12 H30 Cu4 I4 S3
• Title of publication: Reactivity of CuI and CuBr toward Et2S: a Reinvestigation on the Self-Assembly of Luminescent Copper(I) Coordination Polymers
• Authors of publication: Michael Knorr; Abdoulaye Pam; Abderrahim Khatyr; Carsten Strohmann; Marek M. Kubicki; Yoann Rousselin; Shawkat M. Aly; Daniel Fortin; Pierre D. Harvey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5834 - 5844
• a: 13.1104 ± 0.0004 Å
• b: 11.2959 ± 0.0003 Å
• c: 18.1129 ± 0.0005 Å
• α: 90°
• β: 102.874 ± 0.001°
• γ: 90°
• Cell volume: 2614.98 ± 0.13 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No