Information card for entry 4342859

Structure parameters

• Formula: C38 H48 Cr N6 O2
• Calculated formula: C38 H48 Cr N6 O2
• SMILES: c12[n]([Cr]345([N](c6cc(cc(c6O3)C(C)(C)C)C(C)(C)C)=N1)[n]1ccccc1N=[N]4c1cc(cc(c1O5)C(C)(C)C)C(C)(C)C)cccc2
• 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: 18.21 ± 0.003 Å
• b: 15.258 ± 0.002 Å
• c: 17.196 ± 0.003 Å
• α: 90°
• β: 113.908 ± 0.004°
• γ: 90°
• Cell volume: 4367.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No