Information card for entry 4107385

Structure parameters

• Formula: C21 H43 Mo N P4
• Calculated formula: C21 H43 Mo N P4
• SMILES: [MoH]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[n]2c1cc1ccccc1c2
• Title of publication: New Modes for Coordination of Aromatic Heterocyclic Nitrogen Compounds to Molybdenum: Catalytic Hydrogenation of Quinoline, Isoquinoline, and Quinoxaline by Mo(PMe3)4H4
• Authors of publication: Guang Zhu; Keliang Pang; Gerard Parkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1564 - 1565
• a: 12.4605 ± 0.0018 Å
• b: 16.177 ± 0.003 Å
• c: 27.824 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5608.6 ± 1.5 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1441
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No