Information card for entry 1563230

Structure parameters

• Formula: C14 H26 Cd O14
• Calculated formula: C14 H26 Cd O14
• SMILES: O=C(COc1cccc2c(cccc12)OCC(=O)[O-])[O-].[OH2][Cd]([OH2])([OH2])([OH2])([OH2])[OH2].O.O
• Title of publication: Different geometrical arrangements in carboxylate coordination polymers of flexible dicarboxylic acid
• Authors of publication: Deka, Himangshu; Sarma, Rupam; Kumari, Satchi; Khare, Alika; Baruah, Jubaraj B.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2011
• Journal volume: 184
• Journal issue: 7
• Pages of publication: 1726 - 1734
• a: 6.3129 ± 0.0004 Å
• b: 6.51 ± 0.0004 Å
• c: 13.4751 ± 0.0007 Å
• α: 93.3 ± 0.003°
• β: 100.11 ± 0.003°
• γ: 113.129 ± 0.002°
• Cell volume: 496.45 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No