Information card for entry 4342477

Structure parameters

• Common name: Cr(CO)5(CN(3,5-(CF3)2C6H3))
• Formula: C14 H3 Cr F6 N O5
• Calculated formula: C14 H3 Cr F6 N O5
• Title of publication: Comparative measure of the electronic influence of highly substituted aryl isocyanides.
• Authors of publication: Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2936 - 2944
• a: 16.7891 ± 0.0012 Å
• b: 6.2223 ± 0.0004 Å
• c: 31.887 ± 0.002 Å
• α: 90°
• β: 99.575 ± 0.002°
• γ: 90°
• Cell volume: 3284.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0685
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No