Information card for entry 7038535

Structure parameters

• Formula: C30 H47 K O6.5 Se Si
• Calculated formula: C28 H43 K O6 Se Si
• SMILES: [Se]([K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
• 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: 26.2187 ± 0.0015 Å
• b: 9.7757 ± 0.0006 Å
• c: 26.2094 ± 0.0015 Å
• α: 90°
• β: 102.838 ± 0.001°
• γ: 90°
• Cell volume: 6549.7 ± 0.7 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No