Information card for entry 2201101

Structure parameters

• Formula: C24 H28 N4 S4 Zn
• Calculated formula: C24 H28 N4 S4 Zn
• SMILES: [Zn]123(SC(=[S]1)N1CCCC1)(SC(=[S]2)N1CCCC1)[n]1ccc(c2c1c1[n]3ccc(c1cc2)C)C
• Title of publication: (4,7-Dimethyl-1,10-phenanthroline)bis(pyrrolinedithiocarbamato)zinc(II)
• Authors of publication: Guo, Tengwen; Lai, Chian Sing; Tan, Xi Jie; Teo, Chin Seng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m239 - m241
• a: 11.2558 ± 0.0006 Å
• b: 14.5078 ± 0.0007 Å
• c: 31.395 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5126.7 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes