Information card for entry 7223429

Structure parameters

• Formula: C53 H98 Cl N15 O2 Si3 Zr
• Calculated formula: C53 H98 Cl N15 O2 Si3 Zr
• SMILES: [Zr]123(Cl)([N](c4ccccc4)=C(N(C)C)N1/C(N(C)C)=N/[Si](C)(C)C)([N](c1ccccc1)=C(N(C)C)N3/C(=N/[Si](C)(C)C)N(C)C)[N](c1ccccc1)=C(N(C)C)N2C(=N\[Si](C)(C)C)/N(C)C.O(CC)CC.O(CC)CC
• Title of publication: Organoamido zirconium(IV) and titanium(IV) complexes and their catalysis towards ethylene polymerization
• Authors of publication: Zhou, Meisu; Yang, Qiaokun; Tong, Hongbo
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.6863 ± 0.0019 Å
• b: 14.732 ± 0.002 Å
• c: 18.976 ± 0.003 Å
• α: 87.593 ± 0.004°
• β: 76.51 ± 0.003°
• γ: 82.086 ± 0.004°
• Cell volume: 3415.6 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No