Information card for entry 7247801

Structure parameters

• Formula: C31 H25 Cl2 N5 O2 Pd
• Calculated formula: C31 H25 Cl2 N5 O2 Pd
• SMILES: [Cl-].O=C1N([Pd]2(Cl)N(C(=O)c3[n]2c1ccc3)c1cc[n+](Cc2ccccc2)cc1)c1cc[n+](Cc2ccccc2)cc1
• Title of publication: Palladium-anchored donor-flexible pyridylidene amide (PYA) electrocatalysts for CO2 reduction
• Authors of publication: Khurshid, Afshan; Tanveer, Tania; Hafeez, Komal; Ahmed, Maqsood; Akhtar, Zareen; Zafar, M. Naveed
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 49
• Pages of publication: 34817 - 34825
• a: 9.507 ± 0.0004 Å
• b: 11.2651 ± 0.0005 Å
• c: 13.3444 ± 0.0005 Å
• α: 86.589 ± 0.001°
• β: 73.216 ± 0.001°
• γ: 76.076 ± 0.001°
• Cell volume: 1327.99 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No