Information card for entry 4333375

Structure parameters

• Formula: C34 H43 F10 N3 O2 Pd
• Calculated formula: C34 H38 F10 N3 O2 Pd
• Title of publication: A Novel Metal-Binding Mode of Thymine Nucleobases: N(3) and O(4) Chelation†
• Authors of publication: Ruiz, José; Villa, María Dolores; Rodríguez, Venancio; Cutillas, Natalia; Vicente, Consuelo; López, Gregorio; Bautista, Delia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 5448 - 5449
• a: 10.308 ± 0.0004 Å
• b: 18.2252 ± 0.0007 Å
• c: 38.2076 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7177.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1504
• Residual factor for significantly intense reflections: 0.1241
• Weighted residual factors for significantly intense reflections: 0.3089
• Weighted residual factors for all reflections included in the refinement: 0.328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No