Information card for entry 4327915

Structure parameters

• Chemical name: catena-[(mu-iodido)(mu3-iodido)(mu3-pyrimidine-2-thione-KN:KS:KS)dicopper(I)]
• Formula: C4 H4 Cu2 I2 N2 S
• Calculated formula: C4 H4 Cu2 I2 N2 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: 7.3069 ± 0.0004 Å
• b: 8.0037 ± 0.0004 Å
• c: 8.5871 ± 0.0004 Å
• α: 97.41 ± 0.002°
• β: 100.887 ± 0.002°
• γ: 111.137 ± 0.002°
• Cell volume: 449.2 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No