Information card for entry 4303699

Structure parameters

• Formula: C11 H27 Cl2 N9 O4 Pd
• Calculated formula: C11 H27 Cl2 N9 O4 Pd
• SMILES: [Pd]123[NH]=C(Nc4nc(N)c5ncn(c5[n]14)CC[NH]2CC[NH2]3)C.[Cl-].[Cl-].O.O.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: 7.082 ± 0.002 Å
• b: 12.74 ± 0.004 Å
• c: 21.772 ± 0.008 Å
• α: 90°
• β: 92.503 ± 0.005°
• γ: 90°
• Cell volume: 1962.5 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.702 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No