Information card for entry 4086304

Structure parameters

• Formula: C21 H35 Cr N3
• Calculated formula: C21 H35 Cr N3
• SMILES: [Cr](#N)(N(C(C)C)C(C)C)(N(C(C)C)C(C)C)C1C=Cc2ccccc12
• 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: 7.5391 ± 0.0001 Å
• b: 19.8549 ± 0.0002 Å
• c: 14.189 ± 0.0002 Å
• α: 90°
• β: 93.127 ± 0.001°
• γ: 90°
• Cell volume: 2120.76 ± 0.05 ų
• Cell temperature: 173.01 K
• Ambient diffraction temperature: 173.01 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: 0.0464
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No