Information card for entry 4508478

Structure parameters

• Chemical name: Aquabis(pyridine-2-carboxylato-5-carboxylic acid-N,O)-zinc(II)
• Formula: C14 H10 N2 O9 Zn
• Calculated formula: C14 H10 N2 O9 Zn
• SMILES: c12ccc(c[n]2[Zn]2(OC1=O)([n]1c(ccc(c1)C(=O)O)C(=O)O2)[OH2])C(=O)O
• 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: 17.9666 ± 0.0009 Å
• b: 7.1635 ± 0.0012 Å
• c: 12.5582 ± 0.0011 Å
• α: 90°
• β: 110.958 ± 0.009°
• γ: 90°
• Cell volume: 1509.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor R(I) for significantly intense reflections: 0.1235
• Goodness-of-fit parameter for all reflections: 1.266
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.39981 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No