Information card for entry 4327911

Structure parameters

• Chemical name: di(mu-bromido)di(bromido) bis[2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carbaldehyde-k2N,N'] dicopper(II)
• Formula: C8 H6 Br2 Cu N4 O S
• Calculated formula: C8 H6 Br2 Cu N4 O S
• Title of publication: Electrical Conductivity and Luminescence in Coordination Polymers Based on Copper(I)-Halides and Sulfur-Pyrimidine Ligands
• Authors of publication: Almudena Gallego; Oscar Castillo; Carlos J. Gómez-García; Félix Zamora; Salomé Delgado
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 718 - 727
• a: 10.0317 ± 0.0003 Å
• b: 9.8261 ± 0.0003 Å
• c: 12.7639 ± 0.0004 Å
• α: 90°
• β: 114.52 ± 0.002°
• γ: 90°
• Cell volume: 1144.7 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No