Information card for entry 4063766

Structure parameters

• Formula: C32 H39 Cl2 Cr N2 O
• Calculated formula: C32 H39 Cl2 Cr N2 O
• SMILES: c12c3cccc1C=[N](c1c(cccc1CC)CC)[Cr]2(Cl)(Cl)([N](=C3)c1c(cccc1CC)CC)[O]1CCCC1
• Title of publication: Pincer Chromium(II) and Chromium(III) Complexes Supported by Bis(imino)aryl NCN ligands: Synthesis and Catalysis on Isoprene Polymerization
• Authors of publication: Liu, Zhizhou; Gao, Wei; Liu, Xiaoming; Luo, Xuyang; Cui, Dongmei; Mu, Ying
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 752
• a: 18.866 ± 0.004 Å
• b: 10.216 ± 0.002 Å
• c: 31.635 ± 0.006 Å
• α: 90°
• β: 92.74 ± 0.03°
• γ: 90°
• Cell volume: 6090 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No