Information card for entry 7047786

Structure parameters

• Common name: /m(O)-(Mo(O)(^PhCH2^ap)(^PhCH2^apH))~2~ . C7H8
• Chemical name: μ-oxo-bis(oxo-(2-(4-benzylphenylamido-4,6-di-tert-butylphenoxo)- (2-(4-benzylphenylamino)-4,6-di-tert-butylphenoxo)molybdenum(VI))toluene solvate
• Formula: C115 H134 Mo2 N4 O7
• Calculated formula: C108 H126 Mo2 N4 O7
• 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: 15.1553 ± 0.0008 Å
• b: 15.2866 ± 0.0008 Å
• c: 23.9707 ± 0.0012 Å
• α: 75.331 ± 0.0016°
• β: 79.4159 ± 0.0017°
• γ: 72.7891 ± 0.0016°
• Cell volume: 5096.1 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No