Information card for entry 4089544

Structure parameters

• Formula: C40 H48 Na2 O4 Si
• Calculated formula: C40 H48 Na2 O4 Si
• SMILES: c12ccccc1c1ccccc1[Si-2]12c2ccccc2c2ccccc12.[Na][O]1CCCC1.[Na]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Silicon in a Negatively Charged Shell: Anions of Spirosilabifluorene
• Authors of publication: Zabula, Alexander V.; Rogachev, Andrey Yu.; Guzei, Ilia A.; West, Robert
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 13
• Pages of publication: 3760
• a: 10.553 ± 0.005 Å
• b: 13.798 ± 0.005 Å
• c: 13.945 ± 0.005 Å
• α: 67.78 ± 0.02°
• β: 77.033 ± 0.011°
• γ: 68.282 ± 0.009°
• Cell volume: 1737.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No