Information card for entry 4086306

Structure parameters

• Formula: C18 H24 Cr N2 O2
• Calculated formula: C18 H24 Cr N2 O2
• SMILES: [Cr]1234(OC(=O)c5ccccc5)(N(C(C)C)C(C)C)([cH]5[cH]3[cH]2[cH]1[cH]45)#N
• Title of publication: Synthesis and Structure of Chromium(VI) Nitrido Cyclopentadienyl Complexes
• Authors of publication: Billow, Brennan S.; Bemowski, Ross D.; DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 4567
• a: 15.9294 ± 0.0005 Å
• b: 8.5777 ± 0.0003 Å
• c: 13.0331 ± 0.0004 Å
• α: 90°
• β: 99.806 ± 0.002°
• γ: 90°
• Cell volume: 1754.79 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No