Information card for entry 4334733

Structure parameters

• Formula: C42 H48 Mo N4 O2
• Calculated formula: C42 H48 Mo N4 O2
• SMILES: [Mo]12([N](=CC=[N]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)([N](=CC=[N]2c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(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: 11.0992 ± 0.0003 Å
• b: 11.18 ± 0.0005 Å
• c: 17.421 ± 0.0008 Å
• α: 101.38 ± 0.002°
• β: 95.657 ± 0.003°
• γ: 117.054 ± 0.002°
• Cell volume: 1842.94 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.067
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No