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Information card for entry 7239762
Preview
| Coordinates | 7239762.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H25 Cl I N5 Pd |
|---|---|
| Calculated formula | C24 H25 Cl I N5 Pd |
| Title of publication | (Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies |
| Authors of publication | Mikherdov, Alexander S.; Katkova, Svetlana A.; Novikov, Alexander S.; Efremova, Mariia M.; Reutskaya, Elena Yu.; Kinzhalov, Mikhail A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 7 |
| Pages of publication | 1154 - 1159 |
| a | 8.8377 ± 0.0006 Å |
| b | 11.5913 ± 0.0009 Å |
| c | 12.6874 ± 0.0011 Å |
| α | 68.122 ± 0.008° |
| β | 86.872 ± 0.007° |
| γ | 80.728 ± 0.006° |
| Cell volume | 1190.32 ± 0.18 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 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 | 0.045 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.063 |
| Weighted residual factors for all reflections included in the refinement | 0.0696 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257478 (current) | 2020-10-06 | cif/ Updating files of 7239762 Original log message: Adding full bibliography for 7239762.cif. |
7239762.cif |
| 248906 | 2020-03-05 | cif/ Updating files of 7239762 Original log message: Adding full bibliography for 7239762.cif. |
7239762.cif |
| 246939 | 2020-01-17 | cif/ Adding structures of 7239762 via cif-deposit CGI script. |
7239762.cif |
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Users of the data should acknowledge the original authors of the
structural data.