Information card for entry 7219078

Structure parameters

• Formula: C18 H18 Cl Cu N2 S2
• Calculated formula: C18 H18 Cl 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: 6.4888 ± 0.0009 Å
• b: 12.0393 ± 0.0016 Å
• c: 12.8648 ± 0.0017 Å
• α: 111.713 ± 0.002°
• β: 95.419 ± 0.003°
• γ: 100.495 ± 0.003°
• Cell volume: 903.6 ± 0.2 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: 0.0767
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 0.751
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No