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Information card for entry 7245002
Preview
| Coordinates | 7245002.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H36 N4 O2 S2 Sn |
|---|---|
| Calculated formula | C32 H36 N4 O2 S2 Sn |
| Title of publication | New di-n-butyltin(iv)-bis-(1-alkoxy-isoquinoline-4-nitrile thiolate): crystallographic and computational studies |
| Authors of publication | Singh, Amita; Singh, Ayushi; Srivastava, Devyani; Kociok-Köhn, Gabriele; Köhn, Randolf D.; Kumar, Abhinav; Muddassir, Mohd. |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 12.5032 ± 0.0004 Å |
| b | 16.2167 ± 0.0005 Å |
| c | 16.3789 ± 0.0006 Å |
| α | 90° |
| β | 105.745 ± 0.004° |
| γ | 90° |
| Cell volume | 3196.39 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.0651 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.0961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275693 (current) | 2022-05-31 | cif/ Adding structures of 7245002, 7245003 via cif-deposit CGI script. |
7245002.cif |
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