Information card for entry 4342470

Structure parameters

• Chemical name: Cr(CO)5(CNArMes2)
• Formula: C30 H25 Cr N O5
• Calculated formula: C30 H25 Cr N O5
• SMILES: [Cr](C#[N]c1c(c2c(C)cc(cc2C)C)cccc1c1c(cc(cc1C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• 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: 10.0406 ± 0.0006 Å
• b: 10.203 ± 0.0007 Å
• c: 15.5732 ± 0.0014 Å
• α: 101.23 ± 0.001°
• β: 92.815 ± 0.001°
• γ: 118.396 ± 0.001°
• Cell volume: 1357.86 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No