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Information card for entry 4084395
Preview
| Coordinates | 4084395.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H72 F12 O2 P2 Rh4 S4 |
|---|---|
| Calculated formula | C46 H72 F12 O2 P2 Rh4 S4 |
| SMILES | [Rh]1234567([Rh]89%10%11%12%13([S]1[Rh]1%14%15%16%17([S]2[Rh]2%18%19%20([S]38)([S]91)[c]1([c]2([c]%18([c]%19([c]%201C)C)C)C)C)[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O=C(C)C |
| Title of publication | Synthesis of Rhodium‒Primary Thioamide Complexes and Their Desulfurization Leading to Rhodium Sulfido Cubane-Type Clusters and Nitriles |
| Authors of publication | Mutoh, Yuichiro; Sakigawara, Masahiro; Niiyama, Ippei; Saito, Shinichi; Ishii, Youichi |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 19 |
| Pages of publication | 5414 |
| a | 11.385 ± 0.003 Å |
| b | 12.25 ± 0.003 Å |
| c | 20.256 ± 0.004 Å |
| α | 92.265 ± 0.004° |
| β | 95.877 ± 0.004° |
| γ | 91.883 ± 0.003° |
| Cell volume | 2806 ± 1.2 Å3 |
| Cell temperature | 123.15 K |
| Ambient diffraction temperature | 123.15 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 | 0.0653 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.113 |
| Weighted residual factors for all reflections included in the refinement | 0.1269 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178732 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/43. |
4084395.cif |
| 127221 | 2014-11-12 | cif/ Updating files of 4084388, 4084389, 4084390, 4084391, 4084392, 4084393, 4084394, 4084395, 4084396, 4084397, 4084398 Original log message: Adding full bibliography for 4084388--4084398.cif. |
4084395.cif |
| 124138 | 2014-09-24 | cif/ Adding structures of 4084388, 4084389, 4084390, 4084391, 4084392, 4084393, 4084394, 4084395, 4084396, 4084397, 4084398 via cif-deposit CGI script. |
4084395.cif |
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Users of the data should acknowledge the original authors of the
structural data.