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Information card for entry 2020878
Preview
Coordinates | 2020878.cif |
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Structure factors | 2020878.hkl |
Original IUCr paper | HTML |
Chemical name | <i>cis</i>-Dichloridobis(1,2,5-thiadiazolo[3,4-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^1^,<i>N</i>^10^)copper(II) |
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Formula | C24 H12 Cl2 Cu N8 S2 |
Calculated formula | C24 H12 Cl2 Cu N8 S2 |
SMILES | [Cu]12(Cl)(Cl)([n]3cccc4c3c3[n]1cccc3c1nsnc41)[n]1cccc3c1c1[n]2cccc1c1nsnc31 |
Title of publication | Synthesis, crystal structure and biological properties of a <i>cis</i>-dichloridobis(diimine)copper(II) complex |
Authors of publication | Bhat, Satish S.; Revankar, Vidyanand K.; Kumbar, Vijay; Bhat, Kishore; Kawade, Vitthal A. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 2 |
a | 8.181 ± 0.004 Å |
b | 12.168 ± 0.005 Å |
c | 22.99 ± 0.01 Å |
α | 90° |
β | 92.197 ± 0.007° |
γ | 90° |
Cell volume | 2286.9 ± 1.8 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298.15 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0483 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.1116 |
Weighted residual factors for all reflections included in the refinement | 0.1162 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
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205154 (current) | 2018-01-13 | cif/ hkl/ Adding structures of 2020878 via cif-deposit CGI script. |
2020878.cif 2020878.hkl |
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Users of the data should acknowledge the original authors of the
structural data.