Information card for entry 4072190

Structure parameters

• Formula: C34 H40 O2 P2
• Calculated formula: C34 H40 O2 P2
• SMILES: c1(c(cccc1C(C)(C)C)P(CCP(c1c(c(ccc1)C(C)(C)C)O)c1ccccc1)c1ccccc1)O
• 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: 10.9457 ± 0.0012 Å
• b: 12.8989 ± 0.0011 Å
• c: 11.2301 ± 0.0011 Å
• α: 90°
• β: 104.899 ± 0.009°
• γ: 90°
• Cell volume: 1532.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No