Information card for entry 4065366

Structure parameters

• Formula: C69 H74 Cl6 Cr2 N4 O
• Calculated formula: C69 H74 Cl6 Cr2 N4 O
• SMILES: C12C(c3c4c1cccc4ccc3)=[N]([Cr]13([Cl][Cr]4([Cl]1)([Cl]3)(Cl)[N](=C1C(c3c5c1cccc5ccc3)=[N]4c1c(cccc1CC)CC)c1c(cccc1CC)CC)([N]=2c1c(cccc1CC)CC)[O]1CCCC1)c1c(cccc1CC)CC.C(Cl)Cl
• Title of publication: Chromium Complexes with Acenaphthene Imine Derivative Ligands Synthesis and Catalysis on Diene Polymerization
• Authors of publication: Gao, Bo; Gao, Wei; Wu, Qiaolin; Luo, Xuyang; Zhang, Jingshun; Su, Qing; Mu, Ying
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 5480
• a: 14.448 ± 0.0009 Å
• b: 15.1031 ± 0.0009 Å
• c: 16.4755 ± 0.001 Å
• α: 76.028 ± 0.001°
• β: 83.591 ± 0.001°
• γ: 69.277 ± 0.001°
• Cell volume: 3261.7 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.255
• Weighted residual factors for all reflections included in the refinement: 0.2752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No