Information card for entry 7115509

Structure parameters

• Formula: C23 H19 Cl Cr N2
• Calculated formula: C23 H19 Cl Cr N2
• SMILES: c12ccccc1N(c1ccccc1)[Cr]1345([cH]6[cH]1[cH]3[cH]4[cH]56)(N2c1ccccc1)Cl
• Title of publication: Influence of redox non-innocent phenylenediamido ligands on chromium imido hydrogen-atom abstraction reactivity
• Authors of publication: Wen Zhou; Brian O. Patrick; Kevin M. Smith
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 9958
• a: 10.747 ± 0.004 Å
• b: 12.676 ± 0.004 Å
• c: 16.141 ± 0.005 Å
• α: 90.42 ± 0.006°
• β: 107.496 ± 0.006°
• γ: 110.92 ± 0.005°
• Cell volume: 1942.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1531
• Residual factor for significantly intense reflections: 0.1357
• Weighted residual factors for significantly intense reflections: 0.3382
• Weighted residual factors for all reflections included in the refinement: 0.348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No