Information card for entry 4076653

Structure parameters

• Formula: C34 H33 Cr N4
• Calculated formula: C34 H33 Cr N4
• SMILES: [Cr]123(N(C(=CC(=[N]1c1ccccc1)C)C)c1ccccc1)[N](=C(C=C(N2c1ccccc1)C)C)c1c3cccc1
• Title of publication: The (Ph)2nacnac Ligand in Organochromium Chemistry
• Authors of publication: MacAdams, Leonard A.; Kim, Woo-Kyu; Liable-Sands, Louise M.; Guzei, Ilia A.; Rheingold, Arnold L.; Theopold, Klaus H.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 952
• a: 10.0898 ± 0.0003 Å
• b: 9.2347 ± 0.0003 Å
• c: 30.2026 ± 0.0005 Å
• α: 90°
• β: 97.814 ± 0.002°
• γ: 90°
• Cell volume: 2788.04 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1297
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.2578
• Weighted residual factors for all reflections included in the refinement: 0.2875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No