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Information card for entry 2230642
Preview
Coordinates | 2230642.cif |
---|---|
Structure factors | 2230642.hkl |
Original IUCr paper | HTML |
Chemical name | Diaquabis(4-carboxy-2-ethyl-1<i>H</i>-imidazole-5-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)manganese(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate |
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Formula | C20 H32 Mn N6 O12 |
Calculated formula | C20 H32 Mn N6 O12 |
SMILES | CN(C)C=O.[Mn]12([n]3c(CC)[nH]c(c3C(O)=[O]2)C(=O)[O-])([n]2c(CC)[nH]c(c2C(O)=[O]1)C(=O)[O-])([OH2])[OH2].CN(C)C=O |
Title of publication | Diaquabis(4-carboxy-2-ethyl-1<i>H</i>-imidazole-5-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)manganese(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate |
Authors of publication | Zhang, Gang; Wang, Yong |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 7 |
Pages of publication | m828 |
a | 7.3246 ± 0.0002 Å |
b | 9.007 ± 0.0002 Å |
c | 12.0541 ± 0.0003 Å |
α | 68.841 ± 0.001° |
β | 77.78 ± 0.001° |
γ | 70.132 ± 0.001° |
Cell volume | 693.89 ± 0.03 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0382 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0933 |
Weighted residual factors for all reflections included in the refinement | 0.0963 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/2230642.html
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Users of the data should acknowledge the original authors of the
structural data.