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Information card for entry 7113823
Preview
| Coordinates | 7113823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H48 B Br5 N6 Ru |
|---|---|
| Calculated formula | C68 H48 B Br5 N6 Ru |
| SMILES | [Ru]123456([n]7n(c8ccccc8c7)[BH](n7[n]1cc1c7cccc1)n1[n]2cc2c1cccc2)[c]1([c]6([c]5([c]4([c]31c1ccc(Br)cc1)c1ccc(Br)cc1)c1ccc(Br)cc1)c1ccc(Br)cc1)c1ccc(Br)cc1.c1ccccc1.c1ccccc1 |
| Title of publication | Technomimetic molecules: synthesis of ruthenium(II) 1,2,3,4,5-penta(p-bromophenyl)cyclopentadienyl hydrotris(indazolyl)borate, an organometallic molecular turnstile |
| Authors of publication | Carella, Alexandre; Jaud, Joël; Rapenne, Gwénaël; Launay, Jean-Pierre |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 19 |
| Pages of publication | 2434 - 2435 |
| a | 14.271 ± 0.002 Å |
| b | 21.144 ± 0.007 Å |
| c | 40.875 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12334 ± 5 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.484 |
| Residual factor for significantly intense reflections | 0.088 |
| Weighted residual factors for all reflections | 0.366 |
| Weighted residual factors for significantly intense reflections | 0.144 |
| Weighted residual factors for all reflections included in the refinement | 0.139 |
| Goodness-of-fit parameter for all reflections | 5.29 |
| Goodness-of-fit parameter for significantly intense reflections | 4.557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 4.39 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7104820 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210456 (current) | 2018-09-05 | cif/7/ Updating bibliography in entries 7104820, 7113823. Marking entry 7113823 as a duplicate of entry 7104820. |
7113823.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7113823.cif |
| 115295 | 2014-06-02 | cif/ Adding structures of 7113823 via cif-deposit CGI script. |
7113823.cif |
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