Information card for entry 7047782

Structure parameters

• Common name: Mo(^tbu2C6H3^ap)3 . CDCl3 . 2.5(CH3CN)
• Chemical name: Tris-(2-(3,5-di-tert-butylphenyl)-amido-4,6-di-tert-butylphenoxide)molybdenum(VI) deuterochloroform solvate acetonitrile solvate
• Formula: C180 H261 Cl6 D2 Mo2 N11 O6
• Calculated formula: C180 H261 Cl6 D2 Mo2 N11 O6
• Title of publication: Molybdenum(vi) tris(amidophenoxide) complexes.
• Authors of publication: Erickson, Alexander N.; Brown, Seth N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 43
• Pages of publication: 15583 - 15595
• a: 13.9143 ± 0.0006 Å
• b: 25.948 ± 0.0012 Å
• c: 24.7282 ± 0.0012 Å
• α: 90°
• β: 93.1909 ± 0.0016°
• γ: 90°
• Cell volume: 8914.2 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No