Information card for entry 4107389

Structure parameters

• Formula: C18 H34 Mo N P3
• Calculated formula: C18 H34 Mo N P3
• SMILES: [Mo]12345([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[c]67[c]5([cH]4[cH]3[cH]2[cH]16)ccnc7
• 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: 10.345 ± 0.006 Å
• b: 9.391 ± 0.005 Å
• c: 10.985 ± 0.006 Å
• α: 90°
• β: 95.973 ± 0.008°
• γ: 90°
• Cell volume: 1061.4 ± 1 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2401
• Weighted residual factors for all reflections included in the refinement: 0.2437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No