Information card for entry 4116126

Structure parameters

• Chemical name: Triethylammonium Bis[benzilato(2-)-O1,O2]hydroxosilicate
• Formula: C34 H37 N O7 Si
• Calculated formula: C34 H37 N O7 Si
• SMILES: [Si]12(OC(=O)C(O1)(c1ccccc1)c1ccccc1)(OC(=O)C(O2)(c1ccccc1)c1ccccc1)O.[NH+](CC)(CC)CC
• 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: 10.863 ± 0.002 Å
• b: 11.12 ± 0.002 Å
• c: 14.495 ± 0.003 Å
• α: 82.02 ± 0.03°
• β: 86.46 ± 0.03°
• γ: 64.36 ± 0.03°
• Cell volume: 1563.2 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0656
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No