Information card for entry 4065367

Structure parameters

• Formula: C76 H88 Cl4 Cr2 N4 O
• Calculated formula: C76 H88 Cl4 Cr2 N4 O
• SMILES: C12C(c3c4c1cccc4ccc3)=[N](c1c(cccc1C(C)C)C(C)C)[Cr]13(Cl)([Cl][Cr]4([Cl]1)([Cl]3)([N](=C1C(c3cccc5c3c1ccc5)=[N]4c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[O]1CCCC1)[N]=2c1c(cccc1C(C)C)C(C)C
• 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: 12.0344 ± 0.0011 Å
• b: 36.717 ± 0.003 Å
• c: 19.4544 ± 0.0018 Å
• α: 90°
• β: 105.749 ± 0.002°
• γ: 90°
• Cell volume: 8273.6 ± 1.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.1389
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2845
• Weighted residual factors for all reflections included in the refinement: 0.3255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No