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Information card for entry 2222366
Preview
Coordinates | 2222366.cif |
---|---|
Structure factors | 2222366.hkl |
Original IUCr paper | HTML |
Chemical name | Hydroxonium creatininium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)\ cobaltate(II) trihydrate |
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Formula | C18 H23 Co N5 O13 |
Calculated formula | C18 H23 Co N5 O13 |
SMILES | [Co]1234(OC(=O)c5[n]3c(ccc5)C(=O)O1)OC(=O)c1[n]4c(ccc1)C(=O)O2.O=C1[NH+]=C(N(C1)C)N.O.[OH3+].O.O |
Title of publication | Hydroxonium creatininium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cobaltate(II) trihydrate |
Authors of publication | Aghabozorg, Hossein; Derikvand, Zohreh; Attar Gharamaleki, Jafar; Yousefi, Mohammad |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 7 |
Pages of publication | m826 - m827 |
a | 8.0937 ± 0.001 Å |
b | 10.7389 ± 0.0013 Å |
c | 13.5976 ± 0.0017 Å |
α | 104.811 ± 0.002° |
β | 90.267 ± 0.002° |
γ | 92.415 ± 0.001° |
Cell volume | 1141.4 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0624 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.0897 |
Weighted residual factors for all reflections included in the refinement | 0.0968 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/2222366.html
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