Information card for entry 7000864

Structure parameters

• Formula: C34 H22 N10 O4 Pd2
• Calculated formula: C34 H22 N10 O4 Pd2
• SMILES: c12N3[Pd]4([n]5c(cccc5C(=O)N4c4ccccn4)C3=O)[n]3c(N4C(=O)c5cccc6[n]5[Pd]4([n]2cccc1)N(C6=O)c1ccccn1)cccc3
• Title of publication: Effect of metal coordination on the interaction of substituted phenanthroline and pyridine ligands with quadruplex DNA
• Authors of publication: Reed, Julie E.; White, Andrew J. P.; Neidle, Stephen; Vilar, Ramón
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 14
• Pages of publication: 2558 - 2568
• a: 18.1469 ± 0.0004 Å
• b: 8.8803 ± 0.0002 Å
• c: 19.394 ± 0.0006 Å
• α: 90°
• β: 95.936 ± 0.001°
• γ: 90°
• Cell volume: 3108.58 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No