Information card for entry 1542274

Structure parameters

• Formula: C23 H42 Cr N4 O
• Calculated formula: C23 H42 Cr N4 O
• SMILES: [Cr](N(C(C)C)C(C)C)(N(C(C)C)C(C)C)(=NC(=O)C(C)(C)C)=Nc1ccccc1
• Title of publication: A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity
• Authors of publication: Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 2532
• a: 10.3071 ± 0.0009 Å
• b: 27.649 ± 0.002 Å
• c: 18.4003 ± 0.0016 Å
• α: 90°
• β: 99.891 ± 0.001°
• γ: 90°
• Cell volume: 5165.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0591
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No