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Information card for entry 2023069
Preview
Coordinates | 2023069.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Bromidotetrakis[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-amine-κ<i>N</i>^3^]copper(II) bromide |
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Formula | C20 H28 Br2 Cu N12 S8 |
Calculated formula | C20 H28 Br2 Cu N12 S8 |
Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of bromido-tetra-kis-[5-(prop-2-en-1-yl-sulf-an-yl)-1,3,4-thia-diazol-2-amine-κ<i>N</i><sup>3</sup>]copper(II) bromide. |
Authors of publication | Atashov, Aziz; Azamova, Mukhlisakhon; Ziyatov, Daminbek; Uzakbergenova, Zamira; Torambetov, Batirbay; Holczbauer, Tamas; Ashurov, Jamshid; Kadirova, Shakhnoza |
Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | Pt 4 |
Pages of publication | 408 - 412 |
a | 12.69368 ± 0.00009 Å |
b | 12.69368 ± 0.00009 Å |
c | 11.35879 ± 0.00013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1830.24 ± 0.03 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 85 |
Hermann-Mauguin space group symbol | P 4/n :2 |
Hall space group symbol | -P 4a |
Residual factor for all reflections | 0.028 |
Residual factor for significantly intense reflections | 0.0254 |
Weighted residual factors for significantly intense reflections | 0.0633 |
Weighted residual factors for all reflections included in the refinement | 0.0649 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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