Information card for entry 1556491

Structure parameters

• Formula: C26 H45 Na O3 Si
• Calculated formula: C26 H45 Na O3 Si
• SMILES: [Si](C#C[c]12[Na]345([O]6CCCC6)([O]6CCCC6)([O]6CCCC6)[c]1([c]5([c]4([c]23C)C)C)C)(C)(C)C
• Title of publication: Alkali and Alkaline Earth Metal Complexes Ligated by an Ethynyl Substituted Cyclopentadienyl Ligand
• Authors of publication: Seifert, T.; Roesky, P.W.
• Journal of publication: Inorganics
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 28
• a: 8.1123 ± 0.0004 Å
• b: 14.1264 ± 0.0005 Å
• c: 24.7662 ± 0.0014 Å
• α: 90°
• β: 99.36 ± 0.004°
• γ: 90°
• Cell volume: 2800.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.1562
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2044
• Weighted residual factors for all reflections included in the refinement: 0.2505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No