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Information card for entry 2229051
Preview
Coordinates | 2229051.cif |
---|---|
Structure factors | 2229051.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[μ-4-(1<i>H</i>-imidazol-3-ium-1-yl)benzoato- κ^2^<i>O</i>:<i>O</i>']bis[(methanol)tris(nitrato- κ^2^<i>O</i>,<i>O</i>')terbium(III)] |
---|---|
Formula | C22 H24 N10 O24 Tb2 |
Calculated formula | C22 H24 N10 O24 Tb2 |
SMILES | C1(c2ccc(cc2)n2cc[nH+]c2)=[O][Tb]234(ON(=[O]2)=O)(ON(=[O]3)=O)([O]=N(=O)O4)([OH]C)[O]=C(c2ccc(cc2)n2cc[nH+]c2)O[Tb]234(O1)(ON(=[O]2)=O)(ON(=[O]3)=O)([O]=N(=O)O4)[OH]C |
Title of publication | Bis[μ-4-(1<i>H</i>-imidazol-3-ium-1-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']bis[(methanol)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')terbium(III)] |
Authors of publication | Jung, Yeong-Min; Lee, Soon W. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 2 |
Pages of publication | m253 - m254 |
a | 8.2966 ± 0.0003 Å |
b | 9.6107 ± 0.0003 Å |
c | 11.678 ± 0.0004 Å |
α | 95.328 ± 0.002° |
β | 101.271 ± 0.002° |
γ | 100.166 ± 0.002° |
Cell volume | 891.01 ± 0.05 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0313 |
Residual factor for significantly intense reflections | 0.0263 |
Weighted residual factors for significantly intense reflections | 0.059 |
Weighted residual factors for all reflections included in the refinement | 0.0608 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2229051.html
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