Information card for entry 4501751

Structure parameters

• Formula: C22 H28 Cu N8 O15
• Calculated formula: C22 H28 Cu N8 O15
• SMILES: [Cu]1234(OC(=O)c5[n]3c(ccc5)C(=O)O1)OC(=O)c1[n]4c(ccc1)C(=O)O2.O=C1NC(=CC=[NH+]1)N.O=C1[NH+]=CC=C(N1)N.O.O.O.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: 9.4706 ± 0.0004 Å
• b: 11.8131 ± 0.0004 Å
• c: 13.4429 ± 0.0005 Å
• α: 77.635 ± 0.002°
• β: 84.664 ± 0.002°
• γ: 82.454 ± 0.002°
• Cell volume: 1453.07 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No