Information card for entry 7028725

Structure parameters

• Chemical name: tris(3,5-dimethylphenyl(tertbutyl)amido)molebdenum-mu-2-dinitrogen -bis(2-dimethylamino-5-methylphenyl(tertbutyl)amido)-vanadium
• Formula: C62 H96 Mo N9 V
• Calculated formula: C62 H96 Mo N9 V
• 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: 10.4907 ± 0.0014 Å
• b: 10.876 ± 0.0015 Å
• c: 28.605 ± 0.004 Å
• α: 88.905 ± 0.004°
• β: 85.552 ± 0.004°
• γ: 68.327 ± 0.003°
• Cell volume: 3023.7 ± 0.7 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: 0.0722
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No