Information card for entry 4112706

Structure parameters

• Common name: NW(N[i-Pr]Ar)3
• Formula: C36 H57 N4 O0.5 Si W
• Calculated formula: C36 H57 N4 O0.5 Si W
• SMILES: O([Si](C)(C)C)[Si](C)(C)C.N#[W](N(c1cc(cc(c1)C)C)C(C)C)(N(c1cc(cc(c1)C)C)C(C)C)N(c1cc(cc(c1)C)C)C(C)C
• Title of publication: Organic Nitriles from Acid Chlorides: An Isovalent N for (O)Cl Exchange Reaction Mediated by a Tungsten Nitride Complex
• Authors of publication: Christopher R. Clough; Jane B. Greco; Joshua S. Figueroa; Paula L. Diaconescu; William M. Davis; Christopher C. Cummins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 7742 - 7743
• a: 14.973 ± 0.009 Å
• b: 14.973 ± 0.009 Å
• c: 9.96 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1934 ± 2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No