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Information card for entry 2229195
Preview
Coordinates | 2229195.cif |
---|---|
Structure factors | 2229195.hkl |
Original IUCr paper | HTML |
Chemical name | Aqua{2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-\ κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)cobalt(II) |
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Formula | C15 H21 Co N5 O2 S2 |
Calculated formula | C15 H21 Co N5 O2 S2 |
SMILES | [Co]12([OH2])([n]3ccccc3C(=[N]1CC[N]12CCOCC1)C)(N=C=S)N=C=S |
Title of publication | Aqua{2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)cobalt(II) |
Authors of publication | Suleiman Gwaram, Nura; Ikmal Hisham, Nurul Azimah; Khaledi, Hamid; Mohd Ali, Hapipah |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 2 |
Pages of publication | m205 |
a | 7.1554 ± 0.0003 Å |
b | 22.187 ± 0.001 Å |
c | 12.1297 ± 0.0005 Å |
α | 90° |
β | 91.115 ± 0.003° |
γ | 90° |
Cell volume | 1925.31 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0742 |
Residual factor for significantly intense reflections | 0.0547 |
Weighted residual factors for significantly intense reflections | 0.1278 |
Weighted residual factors for all reflections included in the refinement | 0.1372 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
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/2229195.html
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Users of the data should acknowledge the original authors of the
structural data.