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Information card for entry 4118024
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| Coordinates | 4118024.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [ReNPh2(PPh3)2] . 2 THF |
|---|---|
| Chemical name | Nitridodiphenylbis(triphenylphosphine)rhenium(V) tetrahydrofuran solvate |
| Formula | C56 H56 N O2 P2 Re |
| Calculated formula | C56 H56 N O2 P2 Re |
| SMILES | [Re](#N)(c1ccccc1)(c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1 |
| Title of publication | Aryl and NHC Compounds of Technetium and Rhenium |
| Authors of publication | Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2012 |
| Journal volume | 134 |
| Pages of publication | 9118 - 9121 |
| a | 9.972 ± 0.001 Å |
| b | 13.37 ± 0.001 Å |
| c | 18.605 ± 0.001 Å |
| α | 105.33 ± 0.01° |
| β | 93.65 ± 0.01° |
| γ | 99.08 ± 0.01° |
| Cell volume | 2347.8 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0898 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.867 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178951 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/80. |
4118024.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4118024.cif |
| 75169 | 2013-03-08 | cif/ Adding structures of 4118024 via cif-deposit CGI script. |
4118024.cif |
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Users of the data should acknowledge the original authors of the
structural data.