Information card for entry 7159174

Structure parameters

• Formula: C39 H32 Cl10 N3 O P Pd
• Calculated formula: C39 H32 Cl10 N3 O P Pd
• Title of publication: Bilateral metalloheterocyclic systems based on palladacycle and piperidine-2,4-dione pharmacophores.
• Authors of publication: Bulygina, Ludmila A.; Khrushcheva, Natalya S.; Nelyubina, Yulia V.; Dorovatovskii, Pavel; Strelkova, Tatiana V.; Alexeev, Michael S.; Mandegani, Zeinab; Nabavizadeh, S. Masoud; Kuznetsov, Nikolai Yu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 11
• Pages of publication: 2337 - 2354
• a: 9.24 ± 0.0001 Å
• b: 15.0951 ± 0.0002 Å
• c: 16.2876 ± 0.0002 Å
• α: 68.441 ± 0.001°
• β: 87.775 ± 0.001°
• γ: 85.825 ± 0.001°
• Cell volume: 2107.05 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0367
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No