Information card for entry 7028721

Structure parameters

• Common name: bis(2-dimethylamino-5-methylphenyl(tertbutyl)amido)-vanadium
• Chemical name: bis(2-dimethylamino-5-methylphenyl(tertbutyl)amido)-vanadium bis(tetramethylethylenediamine)vanadiumdichloride
• Formula: C39 H66 Cl N6 V1.5
• Calculated formula: C39 H66 Cl N6 V1.5
• 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: 17.6314 ± 0.0019 Å
• b: 9.6863 ± 0.0011 Å
• c: 24.542 ± 0.003 Å
• α: 90°
• β: 103.421 ± 0.002°
• γ: 90°
• Cell volume: 4076.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0618
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.795
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No