Information card for entry 2236641

Structure parameters

• Common name: [Bis(3,5-dichloroalicylidene)-2,2-dimethyl-1,3-propandiamine]dioxomolybdenum(VI)
• Chemical name: {4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}dioxidomolybdenum(VI)
• Formula: C19 H16 Cl4 Mo N2 O4
• Calculated formula: C19 H16 Cl4 Mo N2 O4
• SMILES: c12c(cc(cc1C=[N]1CC(C[N]3=Cc4cc(cc(c4O[Mo]13(O2)(=O)=O)Cl)Cl)(C)C)Cl)Cl
• Title of publication: {4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}dioxidomolybdenum(VI)
• Authors of publication: Kargar, Hadi; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1251 - m1252
• a: 12.84 ± 0.005 Å
• b: 15.457 ± 0.005 Å
• c: 22.173 ± 0.005 Å
• α: 90°
• β: 102.397 ± 0.005°
• γ: 90°
• Cell volume: 4298 ± 2 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: 0.028
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes