Information card for entry 4303700

Structure parameters

• Formula: C9 H20 Cl2 N8 O2 Pd
• Calculated formula: C9 H20 Cl2 N8 O2 Pd
• SMILES: [Pd]12(Cl)[n]3c4n(cnc4c(nc3N)N)CC[NH]1CC[NH2]2.[Cl-].O.O
• 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: 6.353 ± 0.0013 Å
• b: 7.371 ± 0.0015 Å
• c: 17.628 ± 0.003 Å
• α: 80.68 ± 0.03°
• β: 88.08 ± 0.03°
• γ: 74.29 ± 0.03°
• Cell volume: 784.1 ± 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: 0.0302
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No