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Information card for entry 2221453
Preview
Coordinates | 2221453.cif |
---|---|
Structure factors | 2221453.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[diaquacobalt(II)]-bis(μ-3-carboxyadamantane-1-carboxylato- κ^2^<i>O</i>^1^:<i>O</i>^3^)] |
---|---|
Formula | C24 H34 Co O10 |
Calculated formula | C24 H34 Co O10 |
SMILES | [Co]1([OH2])([OH2])OC(=O)C23CC4CC(C2)(CC(C4)C3)C(O)=[O][Co](OC(=O)C23CC4CC(C2)(CC(C4)C3)C(O)=[O]1)([OH2])([OH2])(OC(=O)C12CC3CC(C1)(CC(C3)C2)C(=O)O)[O]=C(O)C12CC3CC(C1)(CC(C3)C2)C(=O)[O-] |
Title of publication | <i>catena</i>-Poly[[diaquacobalt(II)]-bis(<i>{μ</i>}-3-carboxyadamantane-1-carboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)] |
Authors of publication | Tang, Li-Ming; Xu, Jia-Hui; Han, Xiao-Yan; Xu, Wei |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 4 |
Pages of publication | m375 |
a | 10.718 ± 0.002 Å |
b | 23.638 ± 0.005 Å |
c | 9.0726 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2298.6 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.0409 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for significantly intense reflections | 0.0815 |
Weighted residual factors for all reflections included in the refinement | 0.0859 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/2221453.html
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