Information card for entry 7205740

Structure parameters

• Formula: C36 H48 Cd2 N8 O14 S2
• Calculated formula: C36 H48 Cd2 N8 O14 S2
• SMILES: c1[n]2c(ccc1)NCc1cc(ccc1)CNc1[n](cccc1)[Cd]([n]1ccccc1NCc1cc(ccc1)CNc1[n]([Cd]2(OS(=O)(=O)[O-])([OH2])([OH2])[OH2])cccc1)(OS(=O)(=O)[O-])([OH2])([OH2])[OH2]
• Title of publication: Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks
• Authors of publication: Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 4218
• a: 11.334 ± 0.002 Å
• b: 9.0242 ± 0.0018 Å
• c: 21.631 ± 0.004 Å
• α: 90°
• β: 95.38 ± 0.03°
• γ: 90°
• Cell volume: 2202.7 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No