Information card for entry 4063951

Structure parameters

• Formula: C30.5 H32 Cl2 N2 O Zr
• Calculated formula: C30.5 H32 Cl2 N2 O Zr
• SMILES: [Zr]123456(Oc7cccc8ccc([n]1c78)C=[N]2c1c(cccc1C(C)C)C(C)C)(Cl)(Cl)[cH]1[cH]3[cH]4[cH]5[cH]61.c1(ccccc1)C
• Title of publication: Syntheses, Characterization, and Ethylene Polymerization of Half-Sandwich Zirconium Complexes with Tridentate Imino−Quinolinol Ligands
• Authors of publication: Hu, Ping; Wang, Fosong; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 1008
• a: 18.044 ± 0.006 Å
• b: 18.416 ± 0.006 Å
• c: 20.995 ± 0.006 Å
• α: 88.956 ± 0.005°
• β: 84.443 ± 0.005°
• γ: 61.373 ± 0.004°
• Cell volume: 6092 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1662
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No