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Information card for entry 2006027
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Coordinates | 2006027.cif |
---|---|
Original IUCr paper | HTML |
Formula | C10 H10 Cl3 Mn N2 O |
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Calculated formula | C10 H10 Cl3 Mn N2 O |
SMILES | [Mn]1(Cl)(Cl)(Cl)[n]2c(cccc2)c2[n]1cccc2.O |
Title of publication | Aqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')trichloromanganese(III) |
Authors of publication | Tesouro, A.; Corbella, M.; Stoeckli-Evans, H. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 4 |
Pages of publication | 430 - 432 |
a | 6.641 ± 0.001 Å |
b | 10.005 ± 0.002 Å |
c | 10.114 ± 0.003 Å |
α | 84.42 ± 0.02° |
β | 73.52 ± 0.01° |
γ | 78.45 ± 0.01° |
Cell volume | 630.8 ± 0.2 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 | 0.1022 |
Residual factor for significantly intense reflections | 0.0691 |
Weighted residual factors for all reflections | 0.2508 |
Weighted residual factors for significantly intense reflections | 0.192 |
Goodness-of-fit parameter for all reflections | 1.027 |
Goodness-of-fit parameter for significantly intense reflections | 1.145 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2006027.html
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