Information card for entry 4115323

Structure parameters

• Formula: C20 H30 Mo N P4
• Calculated formula: C17 H34 Mo N P3
• SMILES: [MoH]12345([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[c]67[c]1([n-]cc6)[cH]2[cH]3[cH]4[cH]57
• Title of publication: The Reactivity of Mo(PMe3)6 towards Heterocyclic Nitrogen Compounds: Transformations Relevant to Hydrodenitrogenation
• Authors of publication: Guang Zhu; Joseph M. Tanski; David G. Churchill; Kevin E. Janak; Gerard Parkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 13658 - 13659
• a: 14.1007 ± 0.0007 Å
• b: 28.0482 ± 0.0013 Å
• c: 10.9671 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4337.5 ± 0.4 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No