Information card for entry 7029150

Structure parameters

• Common name: (tBuClip)Mo2(O)(Cat)3 . 1.5 C6H6
• Chemical name: (4,4'-Di-tert-butylbiphenyl-2,2'-bis((2-oxy- 3,5-di-tert-butylphenyl)amido)-μ-bis(3,5-di-tert-butylcatecholato)- molybdenum(VI)-(3,5-di-tert-butylcatecholato)(oxo)molybdenum(VI) sesquibenzene solvate
• Formula: C99 H133 Mo2 N2 O9
• Calculated formula: C99 H133 Mo2 N2 O9
• 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: 14.429 ± 0.003 Å
• b: 14.825 ± 0.003 Å
• c: 25.227 ± 0.005 Å
• α: 90.224 ± 0.005°
• β: 103.562 ± 0.005°
• γ: 118.13 ± 0.005°
• Cell volume: 4584.8 ± 1.6 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: 0.1146
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No