Information card for entry 4001512

Structure parameters

• Formula: C84 H154 O25 Si16
• Calculated formula: C84 H154 O25 Si16
• SMILES: [Si]12(O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O4)(O[Si](O3)(O[Si](O2)(O1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)O[Si]12O[Si]3(O[Si]4(O[Si]5(O[Si](O3)(O[Si](O2)(O[Si](O5)(O[Si](O4)(O1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1
• Title of publication: Structural Characterization of POSS Siloxane Dimer and Trimer
• Authors of publication: Anderson, Stanley E.; Mitchell, Connie; Haddad, Timothy S.; Vij, Ashwani; Schwab, Joseph J.; Bowers, Michael T.
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1490
• a: 16.0442 ± 0.001 Å
• b: 18.9546 ± 0.0012 Å
• c: 20.9652 ± 0.0014 Å
• α: 99.598 ± 0.002°
• β: 111.061 ± 0.001°
• γ: 110.305 ± 0.001°
• Cell volume: 5261.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No