Information card for entry 4070407

Structure parameters

• Formula: C28 H34 Cl Cr N2
• Calculated formula: C28 H34 Cl Cr N2
• SMILES: CC1=CC(C)=[N](c2c(cc(cc2C)C)C)[Cr]2345([cH]6[cH]2[cH]3[cH]4[cH]56)(N1c1c(cc(cc1C)C)C)Cl
• Title of publication: Reactivity Consequences of Steric Reduction in Cyclopentadienyl Chromium β-Diketiminate Complexes
• Authors of publication: MacLeod, K. Cory; Conway, Julia L.; Tang, Liming; Smith, Joshua J.; Corcoran, Liam D.; Ballem, Katherine H. D.; Patrick, Brian O.; Smith, Kevin M.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 23
• Pages of publication: 6798
• a: 14.3818 ± 0.001 Å
• b: 15.252 ± 0.001 Å
• c: 25.8696 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5674.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No