Information card for entry 1565600

Structure parameters

• Formula: C28 H29 Cl N4 O4 P2 Pd
• Calculated formula: C28 H29 Cl N4 O4 P2 Pd
• SMILES: [Pd]1([P]2(N(c3c(O2)cccc3)C)Oc2ccccc2[NH]1C)(Cl)P12(Oc3ccccc3N1C)Oc1ccccc1N2C
• Title of publication: Rapid interconversion of diastereomers of [PdCl{P(OC6H4NMe)2}{P(OC6H4NMe)OC6H4NHMe}]
• Authors of publication: Carroll, Hannah K.; Brown, Matthew L.; Yap, Vanessa C.; Magnuson, Justine R.; Reich, Noah A.J.; Macdonald, Alexander G.P.; Montgomery, Craig D.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 501
• Pages of publication: 119239
• a: 13.4859 ± 0.0008 Å
• b: 13.9193 ± 0.0008 Å
• c: 16.7686 ± 0.001 Å
• α: 97.753 ± 0.005°
• β: 112.821 ± 0.005°
• γ: 95.185 ± 0.005°
• Cell volume: 2839.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.149
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1922
• Weighted residual factors for all reflections included in the refinement: 0.2381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No