Information card for entry 7701575

Structure parameters

• Common name: PdDTolPP
• Chemical name: [10-(Diethoxyphosphoryl)-5,15-bis(p-tolyl)porphyrinato(2-)]palladium(II) methylene solvate
• Formula: C39 H35 Cl2 N4 O3 P Pd
• Calculated formula: C39 H35 Cl2 N4 O3 P Pd
• Title of publication: Platinum(ii) and palladium(ii) complexes with electron-deficient meso-diethoxyphosphorylporphyrins: synthesis, structure and tuning of photophysical properties by varying peripheral substituents.
• Authors of publication: Volostnykh, Marina V.; Borisov, Sergey M.; Konovalov, Mikhail A.; Sinelshchikova, Anna A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu; Meyer, Michel; Stern, Christine; Bessmertnykh-Lemeune, Alla
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 24
• Pages of publication: 8882 - 8898
• a: 11.8481 ± 0.0007 Å
• b: 12.1054 ± 0.0006 Å
• c: 13.6018 ± 0.0007 Å
• α: 64.844 ± 0.003°
• β: 89.227 ± 0.003°
• γ: 85.015 ± 0.003°
• Cell volume: 1758.55 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No