Information card for entry 4318291

Structure parameters

• Common name: Morpholinium mer-Tris[glycolato(2-)-O1,O2]silicate
• Formula: C14 H26 N2 O11 Si
• Calculated formula: C14 H26 N2 O11 Si
• SMILES: [Si]123(OC(=O)CO1)(OC(=O)CO2)OC(=O)CO3.[NH2+]1CCOCC1.[NH2+]1CCOCC1
• Title of publication: The Hexacoordinate Silicate Dianions mer-Tris[glycolato(2-)-O1,O2]silicate and fac-Tris[benzilato(2-)-O1,O2]silicate: Syntheses and Structural Characterization
• Authors of publication: Ingo Richter; Martin Penka; Reinhold Tacke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3950 - 3955
• a: 9.3934 ± 0.0019 Å
• b: 10.313 ± 0.002 Å
• c: 10.955 ± 0.002 Å
• α: 106.08 ± 0.03°
• β: 106.35 ± 0.03°
• γ: 98.01 ± 0.03°
• Cell volume: 950.9 ± 0.4 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: 0.0547
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No