Information card for entry 4513618

Structure parameters

• Formula: C28 H18 N4 Na O12
• Calculated formula: C28 H18 N4 Na O12
• SMILES: O.[Na+].O.Oc1ccc(/N=N/c2cc(C(=O)O)cc(C(=O)O)c2)cc1.Oc1ccc(cc1)/N=N/c1cc(cc(c1)C(=O)[O-])C(O)=O
• Title of publication: New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels
• Authors of publication: Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 5075
• a: 21.8715 ± 0.0017 Å
• b: 7.4843 ± 0.0006 Å
• c: 32.824 ± 0.002 Å
• α: 90°
• β: 94.418 ± 0.005°
• γ: 90°
• Cell volume: 5357.1 ± 0.7 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230.15 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 for all reflections: 0.1391
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No