Information card for entry 7708807

Structure parameters

• Formula: C24 H22 Cl N2 O2 P Pd S2
• Calculated formula: C24 H22 Cl N2 O2 P Pd S2
• Title of publication: Mechanochemistry for the synthesis of non-classical N-metalated palladium(ii) pincer complexes
• Authors of publication: Aleksanyan, Diana V.; Churusova, Svetlana G.; Brunova, Valentina V.; Peregudov, Alexander S.; Shakhov, Aleksander M.; Rybalkina, Ekaterina Yu.; Klemenkova, Zinaida S.; Kononova, Elena G.; Denisov, Gleb L.; Kozlov, Vladimir A.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 9.1078 ± 0.001 Å
• b: 9.9172 ± 0.0011 Å
• c: 14.3625 ± 0.0016 Å
• α: 109.013 ± 0.002°
• β: 98.691 ± 0.002°
• γ: 95.893 ± 0.002°
• Cell volume: 1196.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No