Information card for entry 4107384

Structure parameters

• Common name: (Quinazolinyl)MoP4H
• Formula: C20 H43 Mo N2 O0.5 P4
• Calculated formula: C20 H43 Mo N2 O0.5 P4
• SMILES: [MoH]1([n]2c1nc1ccccc1c2)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C.O
• 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: 9.3903 ± 0.0006 Å
• b: 36.41 ± 0.002 Å
• c: 16.0789 ± 0.001 Å
• α: 90°
• β: 91.323 ± 0.001°
• γ: 90°
• Cell volume: 5495.9 ± 0.6 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No