Information card for entry 7029151

Structure parameters

• Common name: (3,5tBuCat)4Mo2O2 . 2 C6H6
• Chemical name: Tetrakis(3,5-di-tert-butylcatecholato)dioxodimolybedenum(VI) di-benzene solvate
• Formula: C68 H92 Mo2 O10
• Calculated formula: C68 H92 Mo2 O10
• 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: 11.7617 ± 0.0003 Å
• b: 16.6561 ± 0.0004 Å
• c: 16.5304 ± 0.0004 Å
• α: 90°
• β: 90.3779 ± 0.0011°
• γ: 90°
• Cell volume: 3238.3 ± 0.14 ų
• Cell temperature: 119 ± 2 K
• Ambient diffraction temperature: 119 ± 2 K
• Number of distinct elements: 4
• 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: 0.0252
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No