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Information card for entry 2230272
Preview
Coordinates | 2230272.cif |
---|---|
Structure factors | 2230272.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[(2,2'-bipyridine)manganese(II)]-μ~3~-4,4'- sulfonyldibenzoato] |
---|---|
Formula | C24 H16 Mn N2 O6 S |
Calculated formula | C24 H16 Mn N2 O6 S |
SMILES | [Mn]1234([O]=C(O1)c1ccc(S(=O)(=O)c5ccc(cc5)C(=O)O[Mn]56([O]=C(O5)c5ccc(S(=O)(=O)c7ccc(cc7)C(=[O]3)O[Mn]378([O]=C(O4)c4ccc(S(=O)(=O)c9ccc(cc9)C9=[O][Mn]%10(O9)([n]9ccccc9c9[n]%10cccc9)OC(=O)c9ccc(S(=O)(=O)c%10ccc(cc%10)C(=[O]3)O7)cc9)cc4)[n]3ccccc3c3[n]8cccc3)cc5)[n]3ccccc3c3[n]6cccc3)cc1)[n]1ccccc1c1[n]2cccc1 |
Title of publication | <i>catena</i>-Poly[[(2,2'-bipyridine)manganese(II)]-μ~3~-4,4'-sulfonyldibenzoato] |
Authors of publication | Yan, Shi-Wei; Zhang, Guang-Ju; Chen, Hai-Yan; Chang, Suo-Cheng; Zhang, Fu-Tian |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 6 |
Pages of publication | m712 |
a | 12.302 ± 0.003 Å |
b | 15.386 ± 0.003 Å |
c | 12.255 ± 0.003 Å |
α | 90° |
β | 111.06 ± 0.03° |
γ | 90° |
Cell volume | 2164.7 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0686 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.1183 |
Weighted residual factors for all reflections included in the refinement | 0.1301 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
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/2230272.html
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