Information card for entry 4072191

Structure parameters

• Formula: C34 H38 Cl2 O2 P2 Zr
• Calculated formula: C34 H38 Cl2 O2 P2 Zr
• SMILES: [Zr]123(Cl)(Cl)[P](c4c(O2)c(ccc4)C(C)(C)C)(CC[P]1(c1c(O3)c(ccc1)C(C)(C)C)c1ccccc1)c1ccccc1
• Title of publication: Zirconium Complexes Containing Tetradentate O,P,P,O Ligands: Ethylene and Propylene Polymerization Studies
• Authors of publication: Long, Richard J.; Jones, David J.; Gibson, Vernon C.; White, Andrew J. P.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5960
• a: 8.3957 ± 0.0002 Å
• b: 17.8816 ± 0.0003 Å
• c: 23.1612 ± 0.0004 Å
• α: 90°
• β: 99 ± 0.002°
• γ: 90°
• Cell volume: 3434.35 ± 0.12 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.2585
• Weighted residual factors for all reflections included in the refinement: 0.2832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No