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Information card for entry 7234276
Preview
| Coordinates | 7234276.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1 |
|---|---|
| Formula | C10 H8 Cl2 I2 N2 Pd |
| Calculated formula | C10 H8 Cl2 I2 N2 Pd |
| Title of publication | A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids |
| Authors of publication | Mroz, D.; George, J.; Kremer, M.; Wang, R.; Englert, U.; Dronskowski, R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 42 |
| Pages of publication | 6396 |
| a | 4.1332 ± 0.0005 Å |
| b | 8.4034 ± 0.0009 Å |
| c | 10.1872 ± 0.0011 Å |
| α | 90.8565 ± 0.0014° |
| β | 96.407 ± 0.0014° |
| γ | 101.47 ± 0.0015° |
| Cell volume | 344.35 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0248 |
| Residual factor for significantly intense reflections | 0.0205 |
| Weighted residual factors for significantly intense reflections | 0.0475 |
| Weighted residual factors for all reflections included in the refinement | 0.0491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223562 (current) | 2019-11-07 | cif/ Updating files of 7234276, 7234277, 7234278 Original log message: Adding full bibliography for 7234276--7234278.cif. |
7234276.cif |
| 218986 | 2019-10-02 | cif/ Adding structures of 7234276, 7234277, 7234278 via cif-deposit CGI script. |
7234276.cif |
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Users of the data should acknowledge the original authors of the
structural data.