Information card for entry 4314301

Structure parameters

• Formula: C39 H90 Nb O3 P Si3
• Calculated formula: C43 H90 Nb O4 P Si4
• Title of publication: Symmetry and Geometry Considerations of Atom Transfer: Deoxygenation of (silox)3WNO and R3PO (R = Me, Ph,tBu) by (silox)3M (M = V, NbL (L = PMe3, 4-Picoline), Ta; silox =tBu3SiO)
• Authors of publication: Adam S. Veige; LeGrande M. Slaughter; Emil B. Lobkovsky; Peter T. Wolczanski; Nikita Matsunaga; Stephen A. Decker; Thomas R. Cundari
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6204 - 6224
• a: 46.322 ± 0.007 Å
• b: 12.8527 ± 0.0014 Å
• c: 18.58 ± 0.003 Å
• α: 90°
• β: 92.718 ± 0.011°
• γ: 90°
• Cell volume: 11049 ± 3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No