Information card for entry 4107387

Structure parameters

• Common name: qoxCMoP3
• Formula: C17 H33 Mo N2 P3
• Calculated formula: C17 H33 Mo N2 P3
• SMILES: [Mo]12345([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[c]67[c]5(nccn6)[cH]4[cH]3[cH]2[cH]17
• 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: 17.804 ± 0.005 Å
• b: 15.736 ± 0.005 Å
• c: 30.893 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8655 ± 5 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: 0.1943
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No