Information card for entry 4075478

Structure parameters

• Formula: C17 H29 Mo N2 O3 P
• Calculated formula: C17 H29 Mo N2 O3 P
• SMILES: [MoH]1234([P]5(N(CCN5C)C)OC)([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(C#[O])C#[O]
• Title of publication: Synthesis and Reactivity of a Phosphite−Boryl Complex of Molybdenum: Formation of (η5-C5Me5)Mo(CO)3(BH2·phosphite) and Its Mo−B, B−P, and B−H Bond Reactions
• Authors of publication: Nakazawa, Hiroshi; Ohba, Masaharu; Itazaki, Masumi
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 12
• Pages of publication: 2903
• a: 8.829 ± 0.004 Å
• b: 8.886 ± 0.004 Å
• c: 13.847 ± 0.005 Å
• α: 90.66 ± 0.004°
• β: 101.191 ± 0.007°
• γ: 111.629 ± 0.009°
• Cell volume: 986.5 ± 0.7 ų
• Cell temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No