Information card for entry 4501753

Structure parameters

• Formula: C30 H30 Mn N14 O19
• Calculated formula: C30 H30 Mn N14 O19
• SMILES: C1(=O)c2cccc3C(=O)O[Mn]45([n]23)([n]2c(C(=O)O4)cccc2C(=O)O5)(O1)[OH2].c1(=O)[nH+]c(cc[nH]1)N.c1(cc[nH]c(=O)[nH+]1)N.c1(cc[nH]c(=O)n1)N.c1(cc[nH]c(=O)n1)N.O.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: 10.5913 ± 0.0004 Å
• b: 13.009 ± 0.0004 Å
• c: 16.502 ± 0.0005 Å
• α: 73.77 ± 0.002°
• β: 79.787 ± 0.002°
• γ: 73.752 ± 0.002°
• Cell volume: 2083.73 ± 0.12 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: 0.0892
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.2155
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No