Information card for entry 1519350

Structure parameters

• Formula: C18 H51 Na3 O15 Si3
• Calculated formula: C18 H51 Na3 O15 Si3
• SMILES: [Si]1([O-])(O[Si]([O-])(O[Si]([O-])(O1)C1CCCCC1)C1CCCCC1)C1CCCCC1.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O
• Title of publication: C36H102Na6O30Si6
• Authors of publication: Taylor, Peter. G.; Gelbrich, Thomas; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 826
• a: 9.1615 ± 0.0001 Å
• b: 10.1143 ± 0.0002 Å
• c: 18.1371 ± 0.0005 Å
• α: 88.586 ± 0.001°
• β: 80.238 ± 0.001°
• γ: 70.995 ± 0.002°
• Cell volume: 1565.16 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No