Information card for entry 1566599

Structure parameters

• Formula: C31 H37 Cl2 Cr F2 N2 O2
• Calculated formula: C31 H37 Cl2 Cr F2 N2 O2
• SMILES: [Cr]12(Cl)(Cl)(Oc3c(C=[N]2c2c([NH]1c1c(F)cccc1F)cccc2)cc(cc3C(C)(C)C)C(C)(C)C)[O]1CCCC1
• Title of publication: Chromium complexes supported by NNO-tridentate ligands: an unprecedented activity with the requirement of a small amount of MAO
• Authors of publication: Tian, Jiliang; Zhang, Xingwang; Liu, Shaofeng; Li, Zhibo
• Journal of publication: Polymer Chemistry
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 1852 - 1860
• a: 14.4764 ± 0.0004 Å
• b: 14.5398 ± 0.0004 Å
• c: 15.5208 ± 0.0004 Å
• α: 90°
• β: 109.539 ± 0.001°
• γ: 90°
• Cell volume: 3078.75 ± 0.15 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 7
• 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: 0.0664
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No