Information card for entry 4065368

Structure parameters

• Formula: C50 H49 Cl8 Cr2 N2 O4
• Calculated formula: C50 H49 Cl8 Cr2 N2 O4
• SMILES: C12c3cccc4c3c(ccc4)[C@@]31[C@]14C(c5cccc6c5c1ccc6)=[N](c1c(cccc1C)C)[Cr]1([Cl][Cr](Cl)([N]=2c2c(cccc2C)C)([O]31)(O4)[O]1CCCC1)(Cl)(Cl)[O]1CCCC1.C(Cl)Cl.C(Cl)Cl.C12c3cccc4c3c(ccc4)[C@]31[C@@]14C(c5cccc6c5c1ccc6)=[N](c1c(cccc1C)C)[Cr]1([Cl][Cr](Cl)([N]=2c2c(cccc2C)C)([O]31)(O4)[O]1CCCC1)(Cl)(Cl)[O]1CCCC1.C(Cl)Cl.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: 12.098 ± 0.0005 Å
• b: 13.5994 ± 0.0006 Å
• c: 15.5225 ± 0.0007 Å
• α: 98.197 ± 0.001°
• β: 99.215 ± 0.001°
• γ: 97.544 ± 0.001°
• Cell volume: 2463.89 ± 0.19 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1163
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.236
• Weighted residual factors for all reflections included in the refinement: 0.2603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No