Information card for entry 4342475

Structure parameters

• Common name: Cr(CO)5(CNArClips)
• Formula: C28 H17 Cl4 Cr N O5
• Calculated formula: C28 H17 Cl4 Cr N O5
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#[N]c1c(cc(C(C)(C)C)cc1c1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl
• 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: 6.4468 ± 0.0004 Å
• b: 12.949 ± 0.0008 Å
• c: 17.043 ± 0.001 Å
• α: 94.61 ± 0.003°
• β: 91.736 ± 0.003°
• γ: 96.334 ± 0.003°
• Cell volume: 1408.38 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No