Information card for entry 4073970

Structure parameters

• Formula: C27 H47 Al N4 W
• Calculated formula: C27 H47 Al N4 W
• SMILES: [W]1([N]2([Al]([N]1(c1cccc3cccc2c13)C(C)C)(C)C)C(C)C)(=NC(C)(C)C)(=NC(C)(C)C)C
• Title of publication: Bis(imido) W(VI) Complexes Chelated by N,N′-Disubstituted 1,8-Diamidonaphthalene: An Analysis of Bonding, Isocyanate Insertion, and Al-Me Transfer
• Authors of publication: Lavoie, Nathalie; Ong, Tiow-Gan; Gorelsky, Serge I.; Korobkov, Ilia; Yap, Glenn P. A.; Richeson, Darrin S.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 26
• Pages of publication: 6586
• a: 9.248 ± 0.004 Å
• b: 21.027 ± 0.009 Å
• c: 15.445 ± 0.007 Å
• α: 90°
• β: 101.544 ± 0.007°
• γ: 90°
• Cell volume: 2943 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No