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Information card for entry 7240868
Preview
Coordinates | 7240868.cif |
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Original paper (by DOI) | HTML |
Common name | CuIPYTBA (THF)_110K |
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Formula | C7.33 H6 Cu I N2 O0.33 S |
Calculated formula | C7.3323 H6 Cu I N2 O0.333 S |
Title of publication | Cu(I)-iodide coordination polymers with aromatic thioamides |
Authors of publication | Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
a | 7.4081 ± 0.0005 Å |
b | 14.9049 ± 0.0012 Å |
c | 11.2422 ± 0.0008 Å |
α | 90° |
β | 101.787 ± 0.004° |
γ | 90° |
Cell volume | 1215.15 ± 0.16 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 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 | 0.0809 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for significantly intense reflections | 0.1388 |
Weighted residual factors for all reflections included in the refinement | 0.1548 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
254328 (current) | 2020-07-16 | cif/ Adding structures of 7240864, 7240865, 7240866, 7240867, 7240868 via cif-deposit CGI script. |
7240868.cif |
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Users of the data should acknowledge the original authors of the
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