Information card for entry 7009839

Structure parameters

• Formula: C32 H36 S2 Zn2
• Calculated formula: C32 H36 S2 Zn2
• SMILES: C1CCC[S]1[Zn]12(c3ccccc3)[C]3(=CC=CC=C3)[Zn]2(c2ccccc2)([S]2CCCC2)[C]21=CC=CC=C2
• Title of publication: Dimeric diphenylzinc adducts with cyclic thioethers
• Authors of publication: Dickson, Ron S.; Fallon, Gary D.; Zhang, Qian-Qian
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 13
• Pages of publication: 1973
• a: 8.1004 ± 0.0002 Å
• b: 17.0908 ± 0.0004 Å
• c: 11.002 ± 0.0002 Å
• α: 90°
• β: 108.825 ± 0.001°
• γ: 90°
• Cell volume: 1441.67 ± 0.06 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for all reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No