Information card for entry 4342478

Structure parameters

• Common name: Cr(CO)5(CNArTripp2)'
• Formula: C42 H49 Cr N O5
• Calculated formula: C42 H49 Cr N O5
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#[N]c1c(cccc1c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1c(C(C)C)cc(C(C)C)cc1C(C)C
• 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: 26.7041 ± 0.0014 Å
• b: 10.9879 ± 0.0006 Å
• c: 27.416 ± 0.0015 Å
• α: 90°
• β: 90.041 ± 0.003°
• γ: 90°
• Cell volume: 8044.5 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0384
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No