Information card for entry 2232067

Structure parameters

• Chemical name: {5,5'-Bis(diethylamino)-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}dioxidomolybdenum(VI)
• Formula: C27 H38 Mo N4 O4
• Calculated formula: C27 H38 Mo N4 O4
• Title of publication: {5,5'-Bis(diethylamino)-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}dioxidomolybdenum(VI)
• Authors of publication: Kargar, Hadi; Kia, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1348
• a: 9.1561 ± 0.0009 Å
• b: 20.6965 ± 0.0016 Å
• c: 28.482 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5397.3 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes