Information card for entry 7108070

Structure parameters

• Formula: C40 H96 Cl12 N2 O36 P6 Si7
• Calculated formula: C40 H96 Cl12 N2 O36 P6 Si7
• Title of publication: Synthesis of silicophosphates containing SiO~6~-octahedra under ambient conditions - reactions of anhydrous H~3~PO~4~ with alkoxysilanes
• Authors of publication: Sandra Jahnigen; Erica Brendler; Uwe Bohme; Edwin Kroke
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7675
• a: 11.4825 ± 0.0003 Å
• b: 15.5104 ± 0.0004 Å
• c: 25.7924 ± 0.0008 Å
• α: 94.538 ± 0.002°
• β: 98.483 ± 0.002°
• γ: 95.689 ± 0.002°
• Cell volume: 4500.4 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1218
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.2207
• Weighted residual factors for all reflections included in the refinement: 0.2453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No