Information card for entry 3000467

Structure parameters

• Formula: C12 H16 N4 O9 Pd
• Calculated formula: C12 H14 N4 O9 Pd
• Title of publication: Selective Formation of Pd-DNA Hybrids Using Tailored Palladium-Mediated Base Pairs: Towards Heteroleptic Pd-DNA Systems.
• Authors of publication: Pérez-Romero, Antonio; Cano-Muñoz, Mario; López-Chamorro, Carmen; Conejero-Lara, Francisco; Palacios, Oscar; Dobado, José A; Galindo, Miguel A
• Journal of publication: Angewandte Chemie International Edition
• Year of publication: 2024
• Journal volume: 63
• Journal issue: 11
• Pages of publication: e202400261
• a: 6.702 ± 0.0003 Å
• b: 9.832 ± 0.0005 Å
• c: 13.1889 ± 0.0007 Å
• α: 95.501 ± 0.002°
• β: 93.318 ± 0.002°
• γ: 107.373 ± 0.002°
• Cell volume: 822.17 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0425
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes