Information card for entry 4303091

Structure parameters

• Common name: Mo(NCMe)(CO)3(CNArDipp2)2
• Formula: C65.5 H74 Mo N2.25 O3
• Calculated formula: C65.53 H74 Mo N2.26 O3.02
• Title of publication: Effective Control of Ligation and Geometric Isomerism: Direct Comparison of Steric Properties Associated with Bis-mesityl and Bis-diisopropylphenyl m-Terphenyl Isocyanides
• Authors of publication: Treffly B. Ditri; Brian J. Fox; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8362 - 8375
• a: 20.7048 ± 0.0005 Å
• b: 20.7048 ± 0.0005 Å
• c: 19.9285 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8543.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.2205
• Weighted residual factors for all reflections included in the refinement: 0.2389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No