Information card for entry 7216641

Structure parameters

• Formula: C12 H22 Cl3 Er N4 O7
• Calculated formula: C12 H22 Cl3 Er N4 O7
• SMILES: [Er]12([OH2])([O]=C(N)c3[n]1cccc3)([OH2])([OH2])([OH2])[O]=C(N)c1[n]2cccc1.[Cl-].[Cl-].[Cl-].O
• Title of publication: The coordination of lanthanide ions with picolinamide. The influence of different anions
• Authors of publication: Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 33
• Pages of publication: 7711
• a: 8.6514 ± 0.0017 Å
• b: 9.1529 ± 0.0018 Å
• c: 14.048 ± 0.003 Å
• α: 96.25 ± 0.03°
• β: 99.78 ± 0.03°
• γ: 105.83 ± 0.03°
• Cell volume: 1040.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No