Information card for entry 7038532

Structure parameters

• Formula: C34 H47 K O7 Se Si
• Calculated formula: C34 H47 K O7 Se Si
• SMILES: [Se]([K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[O]1CCCC1)[Si](c1ccccc1)(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: 9.2695 ± 0.0005 Å
• b: 10.3732 ± 0.0006 Å
• c: 18.6978 ± 0.0011 Å
• α: 98.7616 ± 0.0012°
• β: 93.9586 ± 0.0012°
• γ: 95.8326 ± 0.0012°
• Cell volume: 1761.15 ± 0.17 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No