Information card for entry 7219077

Structure parameters

• Formula: C18 H18 N2 S2
• Calculated formula: C18 H18 N2 S2
• SMILES: C(=S)(C1=[N+](CCN1Cc1ccccc1)Cc1ccccc1)[S-]
• 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: 18.999 ± 0.002 Å
• b: 7.6609 ± 0.0009 Å
• c: 12.3984 ± 0.0015 Å
• α: 90°
• β: 113.417 ± 0.002°
• γ: 90°
• Cell volume: 1655.9 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• 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: 0.0352
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No