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Information card for entry 1540561
Preview
| Coordinates | 1540561.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H53 Br8 Cl2 O2 Os P3 |
|---|---|
| Calculated formula | C64 H53 Br8 Cl2 O2 Os P3 |
| Title of publication | Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion |
| Authors of publication | Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 3 |
| Pages of publication | 1815 |
| a | 13.0217 ± 0.0003 Å |
| b | 22.2992 ± 0.0005 Å |
| c | 23.1406 ± 0.0005 Å |
| α | 90° |
| β | 102.857 ± 0.002° |
| γ | 90° |
| Cell volume | 6551 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0937 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for significantly intense reflections | 0.1555 |
| Weighted residual factors for all reflections included in the refinement | 0.1669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211178 (current) | 2018-09-26 | cif/ Removing the _chemical_name_systematic data item in entries 1540561, 1547197, 4028349, 4342144, 7041210, 7121498, 7218525 since the values referred to the monoclinic crystal system and not the chemical name. |
1540561.cif |
| 177721 | 2016-03-05 | cif/ Updating files of 1540560, 1540561 Original log message: Adding full bibliography for 1540560--1540561.cif. |
1540561.cif |
| 170485 | 2015-11-24 | cif/ Adding structures of 1540560, 1540561 via cif-deposit CGI script. |
1540561.cif |
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Users of the data should acknowledge the original authors of the
structural data.