Information card for entry 2201625

Structure parameters

• Formula: C22 H26 N2 O2 S4 Zn
• Calculated formula: C22 H26 N2 O2 S4 Zn
• SMILES: [Zn]1([n]2ccc(c3c2c2c(c(cc[n]12)C)cc3)C)(SC(=S)OC(C)C)SC(=S)OC(C)C
• Title of publication: (4,7-Dimethyl-1,10-phenanthroline)bis(<i>O</i>-isopropropyldithiocarbonato)zinc(II)
• Authors of publication: Soh, Shu Fang; Lai, Chian Sing; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: m641 - m643
• a: 19.6834 ± 0.001 Å
• b: 9.8097 ± 0.0005 Å
• c: 12.8171 ± 0.0007 Å
• α: 90°
• β: 103.403 ± 0.001°
• γ: 90°
• Cell volume: 2407.4 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.028
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes