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Information card for entry 2210723
Preview
Coordinates | 2210723.cif |
---|---|
Structure factors | 2210723.hkl |
Original IUCr paper | HTML |
Chemical name | Tris(guanidinium) tris(pyridine-2,6-dicarboxylato-κ^3^O,N,O)cerate(III) trihydrate |
---|---|
Formula | C24 H33 Ce N12 O15 |
Calculated formula | C24 H33 Ce N12 O15 |
SMILES | [Ce]123456(OC(=O)c7[n]4c(ccc7)C(=O)O1)(OC(=O)c1[n]5c(ccc1)C(=O)O2)OC(=O)c1[n]6c(ccc1)C(=O)O3.NC(=[NH2+])N.O.O.O.[NH2+]=C(N)N.[NH2+]=C(N)N |
Title of publication | Tris(guanidinium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>)cerate(III) trihydrate |
Authors of publication | Aghabozorg, Hossein; Mohammad Panah, Fahimeh; Sadr-khanlou, Elahe |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 10 |
Pages of publication | m2509 - m2511 |
a | 19.0405 ± 0.0007 Å |
b | 17.1308 ± 0.0007 Å |
c | 20.5597 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6706.1 ± 0.5 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0727 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.0785 |
Weighted residual factors for all reflections included in the refinement | 0.0868 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/2210723.html
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