Information card for entry 7224004

Structure parameters

• Common name: CuBrbp
• Formula: C14 H18 Br Cu N4 S2
• Calculated formula: C14 H18 Br Cu N4 S2
• 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: 21.7441 ± 0.0008 Å
• b: 9.8378 ± 0.0005 Å
• c: 16.9298 ± 0.0008 Å
• α: 90°
• β: 90.766 ± 0.002°
• γ: 90°
• Cell volume: 3621.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0886
• 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