Information card for entry 4342471

Structure parameters

• Common name: Cr(CO)5(CNArDipp2)
• Formula: C21 H21 Cr0.5 F0.5 N0.5 O2.5
• Calculated formula: C21 H21 Cr0.5 F0.5 N0.5 O2.5
• 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: 8.6921 ± 0.0009 Å
• b: 21.885 ± 0.002 Å
• c: 10.1779 ± 0.0011 Å
• α: 90°
• β: 92.318 ± 0.002°
• γ: 90°
• Cell volume: 1934.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No