Information card for entry 7047785

Structure parameters

• Common name: Mo(^OCH3^ap)3 . 0.67(CH3CN)
• Chemical name: Tris-(2-(4-methoxyphenyl)-amido-4,6-di-tert-butylphenoxide)molybdenum(VI) acetonitrile solvate
• Formula: C64.33 H83 Mo N3.67 O6
• Calculated formula: C64.3333 H83 Mo N3.66667 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: 28.0584 ± 0.0018 Å
• b: 35.163 ± 0.0018 Å
• c: 19.4064 ± 0.001 Å
• α: 90°
• β: 106.411 ± 0.0017°
• γ: 90°
• Cell volume: 18366.6 ± 1.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No