Information card for entry 7247800

Structure parameters

• Formula: C21 H25 I2 N5 O3
• Calculated formula: C21 H25 I2 N5 O3
• SMILES: [I-].[I-].N(c1cc[n+](CC)cc1)C(=O)c1nc(C(=O)Nc2cc[n+](cc2)CC)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: 15.8789 ± 0.0013 Å
• b: 10.783 ± 0.0009 Å
• c: 15.3311 ± 0.0011 Å
• α: 90°
• β: 110.401 ± 0.002°
• γ: 90°
• Cell volume: 2460.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2703
• Weighted residual factors for all reflections included in the refinement: 0.2946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No