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Information card for entry 4085594
Preview
| Coordinates | 4085594.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C98 H126 Ag Cl5 N8 O8 Ru2 |
|---|---|
| Calculated formula | C98 H126 Ag Cl5 N8 O8 Ru2 |
| Title of publication | New Structural Motifs Resulting from Internal Constraints in Chelating Bis(NHC) Ligands: A Dinuclear Ruthenium(II) Complex Featuring an η2-Arene Binding Mode and a Remarkable New Tetrameric Silver(I) Halide Form |
| Authors of publication | Simpson, Peter V.; Brown, David H.; Skelton, Brian W.; White, Allan H.; Baker, Murray V. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2508 |
| a | 16.7862 ± 0.001 Å |
| b | 19.0439 ± 0.0012 Å |
| c | 19.1721 ± 0.0014 Å |
| α | 63.626 ± 0.007° |
| β | 88.45 ± 0.005° |
| γ | 64.963 ± 0.006° |
| Cell volume | 4876.2 ± 0.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1036 |
| Residual factor for significantly intense reflections | 0.0714 |
| Weighted residual factors for significantly intense reflections | 0.1798 |
| Weighted residual factors for all reflections included in the refinement | 0.2042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
4085594.cif |
| 152896 | 2015-08-05 | cif/ Updating files of 4085592, 4085593, 4085594 Original log message: Adding full bibliography for 4085592--4085594.cif. |
4085594.cif |
| 133736 | 2015-03-10 | cif/ Adding structures of 4085592, 4085593, 4085594 via cif-deposit CGI script. |
4085594.cif |
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Users of the data should acknowledge the original authors of the
structural data.