Information card for entry 7219079

Structure parameters

• Formula: C18 H18 Br Cu N2 S2
• Calculated formula: C18 H18 Br Cu N2 S2
• Title of publication: Synthesis of New Copper(I) Based Linear 1-D-Coordination Polymers with Neutral Imidazolinium-Dithiocarboxylate Ligands
• Authors of publication: Neuba, Adam; Ortmeyer, Jochen; Konieczna, Dagny Dagmara; Weigel, Gerwin; Flörke, Ulrich; Henkel, Gerald; Wilhelm, Rene
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 6.5715 ± 0.0006 Å
• b: 12.1048 ± 0.0011 Å
• c: 12.8077 ± 0.0011 Å
• α: 111.257 ± 0.002°
• β: 95.214 ± 0.002°
• γ: 100.494 ± 0.002°
• Cell volume: 919.82 ± 0.14 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0239
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No