Information card for entry 4334734

Structure parameters

• Formula: C26 H28 Mo N2 O4
• Calculated formula: C26 H28 Mo N2 O4
• SMILES: [Mo]1([N](=C(C(=[N]1c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)(C#[O])(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: 8.4968 ± 0.0005 Å
• b: 20.443 ± 0.0012 Å
• c: 28.4906 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4948.8 ± 0.5 ų
• Cell temperature: 150 ± 0.02 K
• Ambient diffraction temperature: 150 ± 0.02 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No