Information card for entry 4508477

Structure parameters

• Chemical name: Bis(pyridine-2-carboxylato-5-carboxylic acid-N,O)- bis(N,N-dimethylformamide-O)-zinc(II)
• Formula: C20 H22 N4 O10 Zn
• Calculated formula: C20 H22 N4 O10 Zn
• SMILES: [Zn]12(OC(=O)c3[n]1cc(cc3)C(=O)O)(OC(=O)c1[n]2cc(cc1)C(=O)O)([O]=CN(C)C)[O]=CN(C)C
• Title of publication: Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers
• Authors of publication: Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 5305
• a: 9.5951 ± 0.0018 Å
• b: 31.449 ± 0.017 Å
• c: 8.4876 ± 0.0019 Å
• α: 90°
• β: 115.659 ± 0.016°
• γ: 90°
• Cell volume: 2308.6 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 R(I) for significantly intense reflections: 0.0587
• Goodness-of-fit parameter for all reflections: 2.4725
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No