Information card for entry 7009396

Structure parameters

• Formula: C30 H20 Cl2 N2 Zn
• Calculated formula: C30 H20 Cl2 N2 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2ccccc2c2c(c3ccccc3cc2)c2c(c3[n]1cccc3)ccc1c2cccc1
• Title of publication: Ligand exchange and stereodynamics in the cationic palladium(II)‒π-allyl complex of 2,2'-bis(pyridyl)-1,1'-binaphthalene, a novel atropisomeric N,N-ligand
• Authors of publication: Charmant, Jonathan P. H.; Fallis, Ian A.; Hunt, Neil J.; Lloyd-Jones, Guy C.; Murray, Martin; Nowak, Thorsten
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 1723
• a: 18.6724 ± 0.0017 Å
• b: 9.0454 ± 0.0009 Å
• c: 15.9192 ± 0.002 Å
• α: 90°
• β: 110.51 ± 0.009°
• γ: 90°
• Cell volume: 2518.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.028
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No