Information card for entry 4342481

Structure parameters

• Common name: Cr(CO)5(CNXylyl)
• Formula: C14 H9 Cr N O5
• Calculated formula: C14 H9 Cr N O5
• SMILES: C(#[O])[Cr](C#[O])(C#[O])(C#[N]c1c(C)cccc1C)(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: 7.3313 ± 0.0003 Å
• b: 13.1945 ± 0.0006 Å
• c: 14.5373 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1406.23 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No