Information card for entry 7029149

Structure parameters

• Common name: (tBuClip)Mo(3,5-tBu2Cat) . 1.5 C6H6
• Chemical name: (4,4'-Di-tert-butylbiphenyl-2,2'-bis((2-oxy- 3,5-di-tert-butylphenyl)amido)-(3,5-di-tert-butylphenylcatecholato)- molybdenum(VI) sesquibenzene solvate
• Formula: C71 H93 Mo N2 O4
• Calculated formula: C71 H93 Mo N2 O4
• Title of publication: Mixed amidophenolate-catecholates of molybdenum(vi).
• Authors of publication: Shekar, Sukesh; Brown, Seth N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3601 - 3611
• a: 9.6883 ± 0.0002 Å
• b: 24.4093 ± 0.0005 Å
• c: 27.7995 ± 0.0006 Å
• α: 90°
• β: 100.027 ± 0.001°
• γ: 90°
• Cell volume: 6473.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.045
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No