Information card for entry 4303483

Structure parameters

• Formula: C18 H32 Cd N18 O6
• Calculated formula: C18 H32 Cd N18 O6
• SMILES: c1(nc(c2c(n1)n(cn2)CC[NH]1[Cd]2([NH2]CC1)(ON(=O)=O)([NH](CCn1c3c(c(nc(N)n3)N)nc1)CC[NH2]2)ON(=O)=O)N)N
• Title of publication: Probing Metal-Ion Purine Interactions at DNA Minor-Groove Sites
• 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: 10295 - 10303
• a: 8.236 ± 0.005 Å
• b: 8.258 ± 0.005 Å
• c: 10.795 ± 0.007 Å
• α: 68.088 ± 0.009°
• β: 74.221 ± 0.008°
• γ: 81.283 ± 0.009°
• Cell volume: 654.5 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.6903 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No