Information card for entry 7247802

Structure parameters

• Formula: C31 H29 Cl2 N5 O3
• Calculated formula: C31 H29 Cl2 N5 O3
• SMILES: [Cl-].[Cl-].O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1nc(C(=O)Nc2cc[n+](Cc3ccccc3)cc2)ccc1.O
• 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: 9.2037 ± 0.0004 Å
• b: 11.6728 ± 0.0005 Å
• c: 14.0506 ± 0.0006 Å
• α: 91.744 ± 0.001°
• β: 101.92 ± 0.002°
• γ: 109.87 ± 0.001°
• Cell volume: 1380.69 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2561
• Weighted residual factors for all reflections included in the refinement: 0.2773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0674
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No