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Information card for entry 2208325
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Coordinates | 2208325.cif |
---|---|
Original IUCr paper | HTML |
Formula | C25 H26 Co N6 O6 S |
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Calculated formula | C25 H26 Co N6 O6 S |
SMILES | [Co]12([S](CC(=O)O1)CC(=O)O2)([n]1c[nH]c2ccccc12)([n]1c[nH]c2ccccc12)[n]1c[nH]c2ccccc12.O.O |
Title of publication | Tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(thiodiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')cobalt(II) dihydrate |
Authors of publication | Lei Cao; Jia-Geng Liu; Duan-Jun Xu |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 3 |
Pages of publication | m579 - m581 |
a | 10.3428 ± 0.0004 Å |
b | 19.8783 ± 0.0004 Å |
c | 25.8749 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5319.8 ± 0.3 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.105 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for significantly intense reflections | 0.093 |
Weighted residual factors for all reflections included in the refinement | 0.104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/2208325.html
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Users of the data should acknowledge the original authors of the
structural data.