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Information card for entry 1558816
Preview
Coordinates | 1558816.cif |
---|---|
Structure factors | 1558816.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(3,5-dinitrobenzoato-κ<i>O</i>)bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II) |
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Formula | C18 H22 Cd N8 O12 |
Calculated formula | C18 H22 Cd N8 O12 |
SMILES | [Cd]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)(OC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O)OC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O |
Title of publication | Bis(3,5-dinitrobenzoato-κ<i>O</i>)bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II) |
Authors of publication | Ibragimov, Avazbek |
Journal of publication | IUCrData |
Year of publication | 2020 |
Journal volume | 5 |
Journal issue | 7 |
Pages of publication | x200843 |
a | 7.191 ± 0.005 Å |
b | 8.698 ± 0.005 Å |
c | 10.987 ± 0.005 Å |
α | 112.289 ± 0.005° |
β | 92.827 ± 0.005° |
γ | 101.656 ± 0.005° |
Cell volume | 616.7 ± 0.6 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 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 | 0.0342 |
Residual factor for significantly intense reflections | 0.0327 |
Weighted residual factors for significantly intense reflections | 0.0846 |
Weighted residual factors for all reflections included in the refinement | 0.0864 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
255165 (current) | 2020-08-07 | cif/ hkl/ Adding structures of 1558816 via cif-deposit CGI script. |
1558816.cif 1558816.hkl |
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Users of the data should acknowledge the original authors of the
structural data.