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Information card for entry 2021191
Preview
Coordinates | 2021191.cif |
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Structure factors | 2021191.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[potassium [tetraaqua(μ-5-sulfobenzene-1,3-dicarboxylato)zinc(II)]] |
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Formula | C8 H11 K O11 S Zn |
Calculated formula | C8 H11 K O11 S Zn |
Title of publication | Synthesis, crystal structure and topological analysis of a three-dimensional polymeric network based on zinc(II), potassium and 5-sulfobenzene-1,3-dicarboxylate (SIP) |
Authors of publication | Silva, Flávia H.; Franco, Chris H. J.; Corrêa, Charlane C.; Diniz, Renata |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 8 |
a | 6.7891 ± 0.0001 Å |
b | 16.7667 ± 0.0002 Å |
c | 11.7793 ± 0.0001 Å |
α | 90° |
β | 90.752 ± 0.001° |
γ | 90° |
Cell volume | 1340.73 ± 0.03 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0313 |
Residual factor for significantly intense reflections | 0.0269 |
Weighted residual factors for all reflections | 0.0664 |
Weighted residual factors for all reflections included in the refinement | 0.0645 |
Goodness-of-fit parameter for all reflections | 1.03 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
209288 (current) | 2018-07-27 | cif/ hkl/ Adding structures of 2021191 via cif-deposit CGI script. |
2021191.cif 2021191.hkl |
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Users of the data should acknowledge the original authors of the
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