Information card for entry 4342858

Structure parameters

• Formula: C38 H48 Mo N6 O4
• Calculated formula: C38 H48 Mo N6 O4
• SMILES: [Mo]1234(Oc5c([N]1=Nc1[n]2cccc1)cc(C(C)(C)C)cc5C(C)(C)C)(Oc1c(cc(cc1[N]4=Nc1[n]3cccc1)C(C)(C)C)C(C)(C)C)(=O)=O
• Title of publication: Octacoordinated Dioxo-Molybdenum Complex via Formal Oxidative Addition of Molecular Oxygen. Studies of Chemical Reactions Between M(CO)6 (M = Cr, Mo) and 2,4-Di-tert-butyl-6-(pyridin-2-ylazo)-phenol.
• Authors of publication: Chatterjee, Ipsita; Saha Chowdhury, Nabanita; Ghosh, Pradip; Goswami, Sreebrata
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5257 - 5265
• a: 10.8445 ± 0.0008 Å
• b: 13.501 ± 0.001 Å
• c: 25.2225 ± 0.0018 Å
• α: 90°
• β: 95.156 ± 0.002°
• γ: 90°
• Cell volume: 3677.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No