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Information card for entry 2203681
Preview
Coordinates | 2203681.cif |
---|---|
Structure factors | 2203681.hkl |
Original IUCr paper | HTML |
Chemical name | hexaaquamanganese bis[diazidobis(dimethylglyoximato)cobaltate] dihydrate |
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Formula | C16 H44 Co2 Mn N20 O16 |
Calculated formula | C16 H44 Co2 Mn N20 O16 |
SMILES | CC1C(C)=[N](O)[Co]2(N=1=O)(N=N#N)(N(=C(C(C)=[N]2O)C)=O)N=N#N.[OH2][Mn]([OH2])([OH2])([OH2])([OH2])[OH2].[Co]12(N(=C(C(C)=[N]1O)C)=O)(N(=C(C(C)=[N]2O)C)=O)(N=N#N)N=N#N.O.O |
Title of publication | A new heterometallic complex: [Mn(H~2~O)~6~][Co(dmg)~2~(N~3~)~2~]~2~·2H~2~O, where dmg is dimethylglyoximate |
Authors of publication | Liu, Xuanwen; Zhang, BaoFeng; Wang, Xiaoqing; Shen, Guangqiu; Wang, Ru-Ji; Shen, Dezhong |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 5 |
Pages of publication | m538 - m540 |
a | 9.7345 ± 0.0014 Å |
b | 9.7893 ± 0.0016 Å |
c | 11.4276 ± 0.0015 Å |
α | 87.225 ± 0.01° |
β | 67.328 ± 0.009° |
γ | 72.767 ± 0.011° |
Cell volume | 957 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0363 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.0736 |
Weighted residual factors for all reflections included in the refinement | 0.0771 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/2203681.html
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Users of the data should acknowledge the original authors of the
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