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Information card for entry 2232534
Preview
Coordinates | 2232534.cif |
---|---|
Structure factors | 2232534.hkl |
Original IUCr paper | HTML |
Chemical name | Diaquabis(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)manganese(II) dimethylformamide hemisolvate |
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Formula | C13.5 H15.5 Mn N2.5 O6.5 |
Calculated formula | C13.5 H15.5 Mn N2.5 O6.5 |
SMILES | [Mn]12(OC(=O)c3[n]1cccc3)(OC(=O)c1[n]2cccc1)([OH2])[OH2].O=CN(C)C |
Title of publication | Diaquabis(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)manganese(II) dimethylformamide hemisolvate |
Authors of publication | Golenya, Irina A.; Boyko, Alexander N.; Kalibabchuk, Valentina A.; Haukka, Matti; Tomyn, Stefania V. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 11 |
Pages of publication | m1558 - m1559 |
a | 8.686 ± 0.0017 Å |
b | 13.532 ± 0.003 Å |
c | 14.871 ± 0.003 Å |
α | 73.18 ± 0.03° |
β | 73.53 ± 0.03° |
γ | 72.37 ± 0.03° |
Cell volume | 1557.4 ± 0.7 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 | 0.0745 |
Residual factor for significantly intense reflections | 0.0557 |
Weighted residual factors for significantly intense reflections | 0.1495 |
Weighted residual factors for all reflections included in the refinement | 0.1569 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/2232534.html
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Users of the data should acknowledge the original authors of the
structural data.