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Information card for entry 2224817
Preview
Coordinates | 2224817.cif |
---|---|
Structure factors | 2224817.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(μ-4-hydroxybenzoato-κ^2^<i>O</i>:<i>O</i>')bis[triaquabis(4- hydroxybenzoato)-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-terbium(III)] decahydrate |
---|---|
Formula | C42 H62 O34 Tb2 |
Calculated formula | C42 H62 O34 Tb2 |
SMILES | C1(c2ccc(cc2)O)=[O][Tb]2(O1)(OC(=O)c1ccc(O)cc1)([O]=C(O[Tb]1([O]=C(c3ccc(cc3)O)O1)(OC(=O)c1ccc(O)cc1)([O]=C(O2)c1ccc(O)cc1)([OH2])([OH2])[OH2])c1ccc(O)cc1)([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O |
Title of publication | Bis(μ-4-hydroxybenzoato-κ^2^<i>O</i>:<i>O</i>')bis[triaquabis(4-hydroxybenzoato)-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-terbium(III)] decahydrate |
Authors of publication | Zhu, Yi-Min; Feng, Pei-Pei; Yang, Yang-Yi; Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 1 |
Pages of publication | m54 - m55 |
a | 10.8308 ± 0.0005 Å |
b | 11.3337 ± 0.0006 Å |
c | 11.5128 ± 0.0006 Å |
α | 90.463 ± 0.001° |
β | 101.69 ± 0.001° |
γ | 105.249 ± 0.001° |
Cell volume | 1332.37 ± 0.12 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0203 |
Residual factor for significantly intense reflections | 0.0182 |
Weighted residual factors for significantly intense reflections | 0.0567 |
Weighted residual factors for all reflections included in the refinement | 0.0588 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
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/2224817.html
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