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Information card for entry 2019196
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2019196.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[bis{4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline}cobalt(II)]-bis[μ-1,3-bis(pyridin-4-yl)propane]] |
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Formula | C33 H32 Co N10 O4 S2 |
Calculated formula | C33 H32 Co N10 O4 S2 |
SMILES | [Co]12(N(S(=O)(=O)c3ccc(N)cc3)c3nccc[n]13)(N(S(=O)(=O)c1ccc(N)cc1)c1[n]2cccn1)([n]1ccc(cc1)CCCc1ccncc1)[n]1ccc(CCCc2cc[n]([Co]34(N(S(=O)(=O)c5ccc(N)cc5)c5nccc[n]35)N(S(=O)(=O)c3ccc(N)cc3)c3[n]4cccn3)cc2)cc1 |
Title of publication | Electrochemical properties of a cobalt(II) complex with sulfadiazine and 1,3-bis(pyridin-4-yl)propane |
Authors of publication | Zhao, Ya-Yun; Zhao, Xiu-Hua; Zhang, Jie; Pan, Jian-Guo; Li, Xing |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 10 |
Pages of publication | 1096 - 1099 |
a | 9.5651 ± 0.001 Å |
b | 16.6002 ± 0.0017 Å |
c | 11.3351 ± 0.0012 Å |
α | 90° |
β | 108.4 ± 0.001° |
γ | 90° |
Cell volume | 1707.8 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.041 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0783 |
Weighted residual factors for all reflections included in the refinement | 0.0826 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
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/2019196.html
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