Information card for entry 2201198

Structure parameters

• Formula: C42 H52 O4 P2 S8 Zn2
• Calculated formula: C42 H52 O4 P2 S8 Zn2
• SMILES: [Zn]12(SC(=[S]1)OC(C)C)(SC(=[S]2)OC(C)C)[P](CC[P]([Zn]12(SC(=[S]1)OC(C)C)SC(=[S]2)OC(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: μ-Bis(diphenylphosphino)ethane-<i>P,P</i>'-bis[bis(<i>O</i>-isopropyldithiocarbonato-<i>S,S</i>')zinc(II)]
• Authors of publication: Beer, Stephan; Lai, Chian Sing; Halbach, Tobias S.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m194 - m196
• a: 11.1205 ± 0.0006 Å
• b: 17.7659 ± 0.0009 Å
• c: 24.9002 ± 0.0013 Å
• α: 90°
• β: 92.712 ± 0.001°
• γ: 90°
• Cell volume: 4913.9 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes