Information card for entry 4342860

Structure parameters

• Formula: C38 H48 Cr I3 N6 O2
• Calculated formula: C38 H48 Cr I3 N6 O2
• SMILES: [I-](I)I.[Cr]1234(Oc5c(cc(cc5[N]3=Nc3[n]2cccc3)C(C)(C)C)C(C)(C)C)Oc2c(cc(cc2[N]1=Nc1[n]4cccc1)C(C)(C)C)C(C)(C)C
• 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: 19.983 ± 0.006 Å
• b: 10.545 ± 0.003 Å
• c: 20.782 ± 0.006 Å
• α: 90°
• β: 92.786 ± 0.009°
• γ: 90°
• Cell volume: 4374 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.092
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No