Information card for entry 4104508

Structure parameters

• Formula: C30 H34 Mo N4 P2
• Calculated formula: C30 H34 Mo N4 P2
• SMILES: [Mo]123456([P](C)(C)C)([P](C)(C)C)([CH]7=[CH]1[CH]2=[CH]3c1nc2ccccc2nc71)[CH]1c2nc3c(nc2[CH]6=[CH]5[CH]4=1)cccc3
• Title of publication: Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds
• Authors of publication: Sattler, Aaron; Zhu, Guang; Parkin, Gerard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Journal issue: 22
• Pages of publication: 7828 - 7838
• a: 13.4843 ± 0.0009 Å
• b: 14.0854 ± 0.001 Å
• c: 15.9116 ± 0.0011 Å
• α: 76.577 ± 0.001°
• β: 70.985 ± 0.001°
• γ: 79.895 ± 0.001°
• Cell volume: 2762.7 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No