Information card for entry 4112708

Structure parameters

• Common name: W(O)(Cl)(N[i-Pr]Ar)3
• Formula: C33 H48 Cl N3 O W
• Calculated formula: C33 H48 Cl N3 O W
• SMILES: [W](Cl)(N(c1cc(cc(c1)C)C)C(C)C)(=O)(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: 9.8866 ± 0.001 Å
• b: 16.8619 ± 0.0016 Å
• c: 19.8088 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3302.3 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.0421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No