Information card for entry 4086305

Structure parameters

• Formula: C11 H19 Cl Cr N2
• Calculated formula: C11 H19 Cl Cr N2
• SMILES: [cH]12[cH]3[Cr]451(Cl)([cH]([cH]24)[cH]35)(N(C(C)C)C(C)C)#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: 7.482 ± 0.0002 Å
• b: 15.2516 ± 0.0003 Å
• c: 11.2717 ± 0.0002 Å
• α: 90°
• β: 95.0142 ± 0.0015°
• γ: 90°
• Cell volume: 1281.32 ± 0.05 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1306
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.783
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No