Information card for entry 4116127

Structure parameters

• Chemical name: Anilinium Bis[benzilato(2-)-O1,O2]hydroxosilicate-Tetrahydrofuran
• Formula: C38 H37 N O8 Si
• Calculated formula: C38 H37 N O8 Si
• SMILES: [Si]12(OC(=O)C(c3ccccc3)(c3ccccc3)O1)(OC(=O)C(c1ccccc1)(c1ccccc1)O2)O.c1(ccccc1)[NH3+].O1CCCC1
• Title of publication: Pentacoordinate Silicon Compounds with SiO5Skeletons Containing SiOH or SiOSi Groups: Derivatives of the Pentahydroxosilicate(1-) Anion [Si(OH)5]-and Its Anhydride [(HO)4Si-O-Si(OH)4]2-
• Authors of publication: Reinhold Tacke; Christian Burschka; Ingo Richter; Brigitte Wagner; Reiner Willeke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 8480 - 8485
• a: 11.3633 ± 0.0014 Å
• b: 12.5129 ± 0.0013 Å
• c: 11.8372 ± 0.0014 Å
• α: 90°
• β: 91.155 ± 0.015°
• γ: 90°
• Cell volume: 1682.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No