Information card for entry 2232361

Structure parameters

• Chemical name: (4,4',6,6'-Tetra-<i>tert</i>-butyl-2,2'-{[2- (dimethylamino)ethyl]nitrilobis(methylene)}diphenolato)dioxidomolybdenum(VI) chloroform monosolvate
• Formula: C35 H55 Cl3 Mo N2 O4
• Calculated formula: C35 H55 Cl3 Mo N2 O4
• SMILES: [Mo]123(Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)C[N]2(Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)CC[N]3(C)C)(=O)=O.ClC(Cl)Cl
• Title of publication: (4,4',6,6'-Tetra-<i>tert</i>-butyl-2,2'-{[2-(dimethylamino)ethyl]nitrilobis(methylene)}diphenolato)dioxidomolybdenum(VI) chloroform monosolvate
• Authors of publication: Lei, Xiangyang; Chelamalla, Nagasree
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1510
• a: 24.3475 ± 0.001 Å
• b: 13.9748 ± 0.0006 Å
• c: 11.0267 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3751.9 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes