Information card for entry 4501752

Structure parameters

• Formula: C22 H28 N8 O15 Zn
• Calculated formula: C22 H28 N8 O15 Zn
• SMILES: C1(=O)c2cccc3C(=O)O[Zn]45([n]23)([n]2c(C(=O)O4)cccc2C(=O)O5)O1.c1(cc[nH+]c(=O)[nH]1)N.c1cc([nH+]c(=O)[nH]1)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: 9.4076 ± 0.0003 Å
• b: 11.8945 ± 0.0005 Å
• c: 13.4682 ± 0.0005 Å
• α: 77.712 ± 0.002°
• β: 84.142 ± 0.002°
• γ: 82.466 ± 0.002°
• Cell volume: 1455.55 ± 0.09 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: 0.0376
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No