Information card for entry 7038530

Structure parameters

• Formula: C28 H43 K O6 Si
• Calculated formula: C28 H43 K O6 Si
• SMILES: [K]12345([Si](c6ccccc6)(c6ccccc6)C(C)(C)C)[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: Synthesis and characterization of potassium aryl- and alkyl-substituted silylchalcogenolate ligands.
• Authors of publication: Brown, Jessie L.; Montgomery, Ashley C.; Samaan, Christopher A.; Janicke, Michael T.; Scott, Brian L.; Gaunt, Andrew J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9841 - 9852
• a: 9.6776 ± 0.0009 Å
• b: 16.8062 ± 0.0015 Å
• c: 18.2542 ± 0.0017 Å
• α: 90°
• β: 92.9686 ± 0.0017°
• γ: 90°
• Cell volume: 2964.9 ± 0.5 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.604
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No