Information card for entry 4327913

Structure parameters

• Chemical name: poly-[(mu-bromido)bis(mu4-pyrimidine-2-thionato)tricopper(I)]
• Formula: C8 H6 Br Cu3 N4 S2
• Calculated formula: C8 H6 Br Cu3 N4 S2
• 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: 10.3368 ± 0.0003 Å
• b: 7.6318 ± 0.0003 Å
• c: 17.4468 ± 0.0006 Å
• α: 90°
• β: 120.782 ± 0.002°
• γ: 90°
• Cell volume: 1182.45 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0472
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No