Information card for entry 7159176

Structure parameters

• Formula: C37 H29 Cl N3 O P Pd
• Calculated formula: C37 H29 Cl 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: 35.7466 ± 0.0013 Å
• b: 9.275 ± 0.0003 Å
• c: 26.6696 ± 0.001 Å
• α: 90°
• β: 127.87 ± 0.001°
• γ: 90°
• Cell volume: 6980.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No