Information card for entry 7709709

Structure parameters

• Formula: C21 H17 N3 O2 Pd
• Calculated formula: C21 H17 N3 O2 Pd
• SMILES: [Pd]12(n3c(C(=c4[n]2c(c2n1c(C=O)cc2)cc4)c1ccc(cc1)C)ccc3)[OH2]
• Title of publication: Synthesis, Structure, and Properties of Palladium(II) Complex of α-Formyl Pyrrolyl Dipyrromethene
• Authors of publication: Panchavarnam, Sabari; Sengupta, Rima; Ravikanth, Mangalampalli
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.2123 ± 0.0004 Å
• b: 8.5123 ± 0.0005 Å
• c: 29.3664 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1802.9 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2385
• Weighted residual factors for all reflections included in the refinement: 0.245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No