Information card for entry 4116125

Structure parameters

• Chemical name: Anilinium Tetrakis[benzilato(2-)-O1,O2]-my-oxo-disilicate-Diacetonitrile
• Formula: C72 H62 N4 O13 Si2
• Calculated formula: C72 H62 N4 O13 Si2
• SMILES: [Si]12(OC(=O)C(O1)(c1ccccc1)c1ccccc1)(OC(=O)C(O2)(c1ccccc1)c1ccccc1)O[Si]12(OC(=O)C(O1)(c1ccccc1)c1ccccc1)OC(=O)C(O2)(c1ccccc1)c1ccccc1.[NH3+]c1ccccc1.[NH3+]c1ccccc1.N#CC.N#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: 15.639 ± 0.003 Å
• b: 15.996 ± 0.003 Å
• c: 16.538 ± 0.003 Å
• α: 82.77 ± 0.03°
• β: 61.95 ± 0.03°
• γ: 60.97 ± 0.03°
• Cell volume: 3164.3 ± 1.8 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: 0.0581
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No