Information card for entry 1100715

Structure parameters

• Formula: C57 H58 N2 P4 W
• Calculated formula: C57 H58 N2 P4 W
• SMILES: C1CCN(N=[W]23([P](CC[P]3(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)[P](CC[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)CC1
• Title of publication: Reduction Pathway of End-On Terminally Coordinated Dinitrogen. IV. Geometric, Electronic, and Vibrational Structure of a W(IV) Dialkylhydrazido Complex and Its Two-Electron-Reduced Derivative Undergoing N-N Cleavage upon Protonation
• Authors of publication: Kay H. Horn; Natascha Böres; Nicolai Lehnert; Klaus Mersmann; Christian Näther; Gerhard Peters; Felix Tuczek
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3016 - 3030
• a: 12.6448 ± 0.0011 Å
• b: 12.9364 ± 0.0012 Å
• c: 16.7806 ± 0.0016 Å
• α: 84.98 ± 0.011°
• β: 76.41 ± 0.01°
• γ: 67.177 ± 0.01°
• Cell volume: 2459.2 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No