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Information card for entry 4084203
Preview
| Coordinates | 4084203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H46 N2 P2 Ru |
|---|---|
| Calculated formula | C48 H46 N2 P2 Ru |
| SMILES | [Ru]12345(C#Cc6cnc(cc6)c6ncccc6)([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
| Title of publication | Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes |
| Authors of publication | Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 18 |
| Pages of publication | 4911 |
| a | 10.6144 ± 0.0001 Å |
| b | 37.5042 ± 0.0004 Å |
| c | 9.899 ± 0.0001 Å |
| α | 90° |
| β | 96.579 ± 0.001° |
| γ | 90° |
| Cell volume | 3914.69 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0578 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4084203.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
4084203.cif |
| 122156 | 2014-08-18 | cif/ Adding structures of 4084203, 4084204, 4084205, 4084206, 4084207, 4084208, 4084209, 4084210, 4084211, 4084212, 4084213, 4084214, 4084215 via cif-deposit CGI script. |
4084203.cif |
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Users of the data should acknowledge the original authors of the
structural data.