Information card for entry 7028722

Structure parameters

• Common name: bis(2-dimethylamino-5-methylphenyl(tertbutyl)amido)-molybdenum-dichloride
• Chemical name: bis(2-dimethylamino-5-methylphenyl(tertbutyl)amido)-molybdenum-dichloride
• Formula: C26 H42 Cl2 Mo N4
• Calculated formula: C26 H42 Cl2 Mo N4
• SMILES: [Mo]12(Cl)(Cl)(N(c3c(ccc(c3)C)[N]1(C)C)C(C)(C)C)N(c1c(ccc(c1)C)[N]2(C)C)C(C)(C)C
• 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: 9.5016 ± 0.0008 Å
• b: 10.2855 ± 0.0009 Å
• c: 15.7956 ± 0.0014 Å
• α: 91.198 ± 0.002°
• β: 105.138 ± 0.001°
• γ: 115.939 ± 0.001°
• Cell volume: 1323.7 ± 0.2 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: 0.051
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No