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Information card for entry 2242498
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Coordinates | 2242498.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[[tetraaquacobalt(II)]-μ-pyridine-2,6-dicarboxylato-\ calcium(II)-μ-pyridine-2,6-dicarboxylato] dihydrate] |
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Formula | C14 H18 Ca Co N2 O14 |
Calculated formula | C14 H18 Ca Co N2 O14 |
SMILES | [Co]1234(OC(=O)c5[n]3c(ccc5)C(=O)O1)OC(=O)c1[n]4c(ccc1)C(O2)=[O][Ca]([OH2])([OH2])([OH2])([OH2])[O]=C1O[Co]234(OC(=O)c5[n]3c1ccc5)OC(=O)c1[n]4c(ccc1)C(O2)=[O][Ca]([OH2])([OH2])([OH2])[OH2].O.O.O.O |
Title of publication | Crystal structure of a heterometallic coordination polymer: <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-pyridine-2,6-dicarboxylato-calcium(II)-μ-pyridine-2,6-dicarboxylato] dihydrate] |
Authors of publication | Lin, Jie-Shuang; Zhang, Bing-Guang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 6 |
Pages of publication | 808 - 811 |
a | 8.6299 ± 0.0008 Å |
b | 8.7781 ± 0.0008 Å |
c | 14.0726 ± 0.0012 Å |
α | 80.683 ± 0.001° |
β | 73.602 ± 0.001° |
γ | 89.568 ± 0.001° |
Cell volume | 1008.38 ± 0.16 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0246 |
Residual factor for significantly intense reflections | 0.0229 |
Weighted residual factors for significantly intense reflections | 0.0633 |
Weighted residual factors for all reflections included in the refinement | 0.0643 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2242498.html
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