Information card for entry 4070402

Structure parameters

• Formula: C26 H30 Cr I N2
• Calculated formula: C26 H30 Cr I N2
• SMILES: c1(c(cccc1C)C)[N]1=C(C)C=C(C)N(c2c(cccc2C)C)[Cr]23451([cH]1[cH]2[cH]3[cH]4[cH]51)I
• 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: 8.2236 ± 0.0004 Å
• b: 22.71 ± 0.001 Å
• c: 12.8442 ± 0.0007 Å
• α: 90°
• β: 97.115 ± 0.004°
• γ: 90°
• Cell volume: 2380.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0372
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No