Information card for entry 4086303

Structure parameters

• Formula: C17 H33 Cr N3
• Calculated formula: C17 H33 Cr N3
• SMILES: [Cr](N(C(C)C)C(C)C)(N(C(C)C)C(C)C)(#N)C1C=CC=C1
• 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: 7.4468 ± 0.0003 Å
• b: 18.9011 ± 0.0008 Å
• c: 13.5482 ± 0.0006 Å
• α: 90°
• β: 94.472 ± 0.001°
• γ: 90°
• Cell volume: 1901.14 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No