Information card for entry 7001807

Structure parameters

• Formula: C31 H27 Cl7 Cr N3 O
• Calculated formula: C31 H27 Cl7 Cr N3 O
• SMILES: [Cr]12(Cl)(Cl)(Cl)[n]3c4cc(C(C)(C)C)ccc4oc3c3[n]1c1c4[n]2c(c2ccccc2)ccc4ccc1cc3.ClCCl.ClCCl
• Title of publication: Chromium(III) complexes bearing 2-benzazole-1,10-phenanthrolines: synthesis, molecular structures and ethylene oligomerization and polymerization
• Authors of publication: Zhang, Min; Wang, Kefeng; Sun, Wen-Hua
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 32
• Pages of publication: 6354 - 6363
• a: 10.712 ± 0.002 Å
• b: 18.094 ± 0.004 Å
• c: 16.98 ± 0.003 Å
• α: 90°
• β: 104.15 ± 0.03°
• γ: 90°
• Cell volume: 3191.3 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No