Information card for entry 7004548

Structure parameters

• Formula: C3 H3 O6 Pr
• Calculated formula: C3 H3 O6 Pr
• Title of publication: Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd)
• Authors of publication: Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6165 - 6169
• a: 10.6344 ± 0.0002 Å
• b: 10.6344 ± 0.0002 Å
• c: 4.0806 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 399.651 ± 0.014 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.361
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No