Information card for entry 2236691

Structure parameters

• Chemical name: Dioxido{4,4',6,6'-tetrabromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}molybdenum(VI)
• Formula: C19 H16 Br4 Mo N2 O4
• Calculated formula: C19 H16 Br4 Mo N2 O4
• SMILES: [Mo]123(Oc4c(Br)cc(Br)cc4C=[N]2CC(C)(C)C[N]3=Cc2cc(Br)cc(Br)c2O1)(=O)=O
• Title of publication: Dioxido{4,4',6,6'-tetrabromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}molybdenum(VI)
• Authors of publication: Kargar, Hadi; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1297 - m1298
• a: 13.1915 ± 0.0006 Å
• b: 15.789 ± 0.0008 Å
• c: 22.2514 ± 0.0013 Å
• α: 90°
• β: 101.702 ± 0.003°
• γ: 90°
• Cell volume: 4538.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1197
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes