Information card for entry 4350816

Structure parameters

• Formula: C12 H26 Cu N2 O2 S4
• Calculated formula: C12 H26 Cu N2 O2 S4
• Title of publication: The first crystallographically-characterised Cu(II) xanthate
• Authors of publication: Johnson, Andrew L.; Hill, Michael S.; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Sudlow, Anna L.
• Journal of publication: Inorganic Chemistry Communications
• Year of publication: 2014
• Journal volume: 49
• Pages of publication: 8 - 11
• a: 21.1341 ± 0.0003 Å
• b: 8.0275 ± 0.0001 Å
• c: 14.9706 ± 0.0002 Å
• α: 90 ± 0.0008°
• β: 133.318 ± 0.001°
• γ: 90°
• Cell volume: 1847.86 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0304
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No