Information card for entry 4501750

Structure parameters

• Formula: C24 H24 Mn N12 O11
• Calculated formula: C24 H18 Mn N12 O11
• SMILES: C1(=O)c2cccc3C(=O)O[Mn]45([n]23)([n]2c(C(=O)O4)cccc2C(=O)O5)O1.c1nc(c2c([nH]1)nc[nH+]2)N.c1[nH]c(c2c(n1)[nH+]cn2)N.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: 9.707 ± 0.002 Å
• b: 18.695 ± 0.003 Å
• c: 17.37 ± 0.003 Å
• α: 90°
• β: 112.008 ± 0.014°
• γ: 90°
• Cell volume: 2922.5 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.2491
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No