Information card for entry 4075477

Structure parameters

• Formula: C18 H30 B Mo N2 O4 P
• Calculated formula: C18 H30 B Mo N2 O4 P
• SMILES: [Mo]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[O])(C#[O])(C#[O])[BH2][P]1(OC)N(CCN1C)C
• 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: 9.268 ± 0.0002 Å
• b: 14.546 ± 0.0004 Å
• c: 17.108 ± 0.0005 Å
• α: 90°
• β: 105.371 ± 0.001°
• γ: 90°
• Cell volume: 2223.87 ± 0.1 ų
• Cell temperature: 200.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.472
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No