Information card for entry 4501754

Structure parameters

• Formula: C29 H25 Ce N9 O16
• Calculated formula: C29 H25 Ce N9 O16
• SMILES: C1(=O)c2cccc3[n]2[Ce]2456(O1)(OC(=O)c1cccc(C(=O)O5)[n]21)(OC(=O)c1cccc(C(=O)O6)[n]41)OC3=O.[nH+]1c(=O)[nH]ccc1N.[nH+]1c(=O)[nH]ccc1N.O.O
• Title of publication: Protonated Adenine and Cytosine Ribbons Stabilized by Dipicolinato Metal Frameworks
• Authors of publication: Das, Babulal; Baruah, Jubaraj B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 3242
• a: 15.9668 ± 0.0004 Å
• b: 17.7252 ± 0.0004 Å
• c: 11.5612 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3271.99 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No