Information card for entry 7028724

Structure parameters

• Common name: mu-oxylamido-bis(bis(3,5-dimethylphenyl(tertbutyl)amido)-(3,5-dimethylphenylimido)-molybdenum)
• Chemical name: mu-oxylamido-bis(bis(3,5-dimethylphenyl(tertbutyl)amido)-(3,5-dimethylphenylimido)-molybdenum)
• Formula: C86 H132 Mo2 N8 O7
• Calculated formula: C86 H132 Mo2 N8 O7
• Title of publication: Experimental and computational studies on the formation of cyanate from early metal terminal nitrido ligands and carbon monoxide.
• Authors of publication: Cozzolino, Anthony F.; Silvia, Jared S.; Lopez, Nazario; Cummins, Christopher C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 12
• Pages of publication: 4639 - 4652
• a: 11.8143 ± 0.0006 Å
• b: 11.9134 ± 0.0006 Å
• c: 16.8751 ± 0.0009 Å
• α: 79.05 ± 0.001°
• β: 86.767 ± 0.001°
• γ: 65.461 ± 0.001°
• Cell volume: 2120.61 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0419
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No