Information card for entry 4303093

Structure parameters

• Common name: mer,trans-(THF)Mo(CO)3(CNArDipp2)2
• Formula: C77 H98 Mo N2 O6
• Calculated formula: C77 H98 Mo N2 O6
• 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: 16.95 ± 0.009 Å
• b: 17.551 ± 0.009 Å
• c: 25.085 ± 0.013 Å
• α: 90°
• β: 107.81 ± 0.08°
• γ: 90°
• Cell volume: 7105 ± 7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No