Information card for entry 2201197

Structure parameters

• Formula: C28 H28 Cd2 N4 O22
• Calculated formula: C28 H28 Cd2 N4 O22
• SMILES: c12C(=O)O[Cd]34([OH2])([n]2c(ccc1)C(=O)[O]3[Cd]12([n]3c(cccc3C(=O)O2)C(=O)[O]41)([OH2])([OH2])[OH2])([OH2])[OH2].c1(nc(ccc1)C(=O)O)C(=O)O.c1(nc(ccc1)C(=O)O)C(=O)O
• Title of publication: A seven-coordinate pyridine-2,6-dicarboxylate-bridged cadmium(II) complex, at 110K
• Authors of publication: Ranjbar, M.; Aghabozorg, Hossein; Moghimi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: m304 - m306
• a: 9.0531 ± 0.0016 Å
• b: 14.667 ± 0.003 Å
• c: 12.186 ± 0.002 Å
• α: 90°
• β: 98.485 ± 0.004°
• γ: 90°
• Cell volume: 1600.4 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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 for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes