Information card for entry 4334731

Structure parameters

• Formula: C25 H27 Mo N3 O3
• Calculated formula: C25 H27 Mo N3 O3
• SMILES: [Mo]1([N](=CC=[N]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)([N]#CC)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and Electrochemical Reactivity of Molybdenum Dicarbonyl Supported by a Redox-Active α-Diimine Ligand
• Authors of publication: Isaac R. Corn; Pablo D. Astudillo-Sánchez; Michael J. Zdilla; Phillip E. Fanwick; Michael J. Shaw; Jeffrey T. Miller; Dennis H. Evans; Mahdi M. Abu-Omar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5457 - 5463
• a: 15.2745 ± 0.001 Å
• b: 7.6639 ± 0.0004 Å
• c: 21.9287 ± 0.0014 Å
• α: 90°
• β: 110.075 ± 0.002°
• γ: 90°
• Cell volume: 2411.1 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No