Information card for entry 4508476

Structure parameters

• Common name: tetrakis(μ~2~-Isocinchomeronate-N,O,O')-deca-aqua-tetra-zinc(ii)
• Chemical name: tetrakis(μ~2~-Pyridine-2,5-dicarboxylato-N,O,O')-deca-aqua-tetra-zinc(ii)
• Formula: C28 H32 N4 O26 Zn4
• Calculated formula: C28 H32 N4 O26 Zn4
• SMILES: c12ccc3c[n]2[Zn](OC1=O)(OC(=O)c1ccc2[n](c1)[Zn](OC(=O)c1ccc4C(=O)O[Zn]([n]4c1)(OC(=O)c1ccc4[n](c1)[Zn](OC3=O)(OC4=O)([OH2])[OH2])([OH2])([OH2])[OH2])(OC2=O)([OH2])[OH2])([OH2])([OH2])[OH2]
• 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: 11.4637 ± 0.0012 Å
• b: 11.8882 ± 0.0014 Å
• c: 7.1062 ± 0.0018 Å
• α: 104.23 ± 0.019°
• β: 90.255 ± 0.011°
• γ: 107.323 ± 0.017°
• Cell volume: 893 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 R(I) for significantly intense reflections: 0.1157
• Goodness-of-fit parameter for all reflections: 1.4053
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.39981 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No