Information card for entry 7211659

Structure parameters

• Formula: C48 H28 Br12 Cd N4 O14
• Calculated formula: C48 H28 Br12 Cd N4 O14
• SMILES: OC(=O)c1c(Br)c(Br)c(C(=O)O)c(Br)c1Br.[OH2][Cd]([n]1ccc(cc1)/C=C/c1[nH+]cccc1)([n]1ccc(cc1)/C=C/c1[nH+]cccc1)(OC(=O)c1c(Br)c(Br)c(C(=O)[O-])c(Br)c1Br)(OC(=O)c1c(Br)c(Br)c(C(=O)[O-])c(Br)c1Br)[OH2]
• Title of publication: Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands
• Authors of publication: Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 834
• a: 9.1883 ± 0.0004 Å
• b: 13.9263 ± 0.0007 Å
• c: 21.9249 ± 0.001 Å
• α: 90°
• β: 97.257 ± 0.001°
• γ: 90°
• Cell volume: 2783 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No