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Information card for entry 2018587
Preview
Coordinates | 2018587.cif |
---|---|
Structure factors | 2018587.hkl |
Original IUCr paper | HTML |
Chemical name | Poly[di-μ-aqua-[μ~4~-<i>N</i>-(4- iodophenylsulfonyl)dithiocarbimato]dipotassium] |
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Formula | C7 H8 I K2 N O4 S3 |
Calculated formula | C7 H8 I K2 N O4 S3 |
SMILES | [K+].[K+].Ic1ccc(cc1)S(=O)([O-])=NC(=S)[S-].O.O |
Title of publication | Poly[di-μ-aqua-[μ~6~-<i>N</i>-(4-bromophenylsulfonyl)dithiocarbimato]dipotassium] and poly[di-μ-aqua-[μ~4~-<i>N</i>-(4-iodophenylsulfonyl)dithiocarbimato]dipotassium] |
Authors of publication | Janczak, Jan; Rubinger, Mayura M. M.; Alves, Leandro C.; Oliveira, Marcelo R. L. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 11 |
Pages of publication | m312 - m316 |
a | 16.155 ± 0.003 Å |
b | 6.3794 ± 0.0013 Å |
c | 14.549 ± 0.003 Å |
α | 90° |
β | 91.86 ± 0.03° |
γ | 90° |
Cell volume | 1498.6 ± 0.5 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0645 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.0535 |
Weighted residual factors for all reflections included in the refinement | 0.0592 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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/2018587.html
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Users of the data should acknowledge the original authors of the
structural data.