Information card for entry 4303698

Structure parameters

• Formula: C10 H22 Cl2 N8 O2 Pd
• Calculated formula: C10 H18 Cl N8 Pd
• SMILES: [Pd]12(Cl)[n]3c(nc(c4c3n(cn4)CCC[NH]1CC[NH2]2)N)N
• Title of publication: Reactions of Pd(II) with Chelate-Tethered 2,6-Diaminopurine Derivatives: N3-Coordination and Reaction of the Purine System
• Authors of publication: Miguel A. Galindo; David Amantia; Alberto Martinez-Martinez; William Clegg; Ross W. Harrington; Virtudes Moreno Martinez; Andrew Houlton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11085 - 11091
• a: 6.9568 ± 0.0012 Å
• b: 7.4205 ± 0.0017 Å
• c: 18.158 ± 0.003 Å
• α: 88.564 ± 0.017°
• β: 81.212 ± 0.013°
• γ: 63.919 ± 0.014°
• Cell volume: 831.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No