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Information card for entry 2222386
Preview
Coordinates | 2222386.cif |
---|---|
Structure factors | 2222386.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[diaquabis(thiocyanato-κ<i>N</i>)cobalt(II)]-μ-4,4'- bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4,4'-bipyridine solvate] |
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Formula | C22 H20 Co N6 O2 S2 |
Calculated formula | C22 H20 Co N6 O2 S2 |
SMILES | [Co]([OH2])([OH2])(N=C=S)(N=C=S)([n]1ccc(cc1)c1cc[n](cc1)[Co]([OH2])([OH2])(N=C=S)N=C=S)[n]1ccc(c2ccncc2)cc1.n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1 |
Title of publication | <i>catena</i>-Poly[[diaquabis(thiocyanato-κ<i>N</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4,4'-bipyridine solvate] |
Authors of publication | Yao, Rufu; Wang, Dong E. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 7 |
Pages of publication | m813 |
a | 7.4433 ± 0.0011 Å |
b | 9.0147 ± 0.0011 Å |
c | 10.1114 ± 0.0013 Å |
α | 107.77 ± 0.002° |
β | 103.978 ± 0.002° |
γ | 97.038 ± 0.002° |
Cell volume | 612.66 ± 0.14 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 | 0.0451 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.1141 |
Weighted residual factors for all reflections included in the refinement | 0.1177 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/2222386.html
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