Information card for entry 7111127

Structure parameters

• Chemical name: trtra hydrate bis-4,4'-biphenylenedicarboxylato di sodium one cobalt
• Formula: C28 H24 Co Na2 O12
• Calculated formula: C28 H24 Co Na2 O12
• SMILES: c1c(C(=O)O[Co]([OH2])([OH2])(OC(=O)c2ccc(cc2)c2ccc(cc2)C(=O)[O-])([OH2])[OH2])ccc(c1)c1ccc(cc1)C(=O)[O-].[Na+].[Na+]
• Title of publication: The first pillared three-dimensional structure constructed by carboxylate ligands bridging heterometallic trilayers
• Authors of publication: Pan, Long; Finkel, Bruce S.; Huang, Xiaoying; Li, Jing
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 1
• Pages of publication: 105
• a: 31.746 ± 0.006 Å
• b: 6.083 ± 0.001 Å
• c: 13.363 ± 0.003 Å
• α: 90°
• β: 104.35 ± 0.03°
• γ: 90°
• Cell volume: 2500 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 for all reflections: 0.1939
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No