Information card for entry 7224006

Structure parameters

• Common name: CuClpyz
• Formula: C4 H7 Cl Cu N2 S
• Calculated formula: C4 H7 Cl Cu N2 S
• Title of publication: Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands
• Authors of publication: Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 1809
• a: 7.9771 ± 0.0001 Å
• b: 10.673 ± 0.0001 Å
• c: 8.921 ± 0.0001 Å
• α: 90°
• β: 97.182 ± 0.001°
• γ: 90°
• Cell volume: 753.571 ± 0.015 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0197
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No