Information card for entry 4076649

Structure parameters

• Formula: C34 H34 Cr N4
• Calculated formula: C34 H34 Cr N4
• SMILES: [Cr]12(N(C(=CC(=[N]1c1ccccc1)C)C)c1ccccc1)[N](=C(C)C=C(N2c1ccccc1)C)c1ccccc1
• 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: 10.5465 ± 0.0001 Å
• b: 11.4442 ± 0.0002 Å
• c: 13.8021 ± 0.0002 Å
• α: 87.52 ± 0.001°
• β: 72.744 ± 0.001°
• γ: 65.33°
• Cell volume: 1439.43 ± 0.04 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections: 0.2449
• Weighted residual factors for significantly intense reflections: 0.2176
• Goodness-of-fit parameter for all reflections: 1.1
• Goodness-of-fit parameter for significantly intense reflections: 1.296
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No