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Information card for entry 7026048
Preview
| Coordinates | 7026048.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | jontt16 |
|---|---|
| Formula | C35 H49 B F4 N6 P Rh |
| Calculated formula | C35 H49 B F4 N6 P Rh |
| SMILES | [RhH]12([P](c3ccccc3)(C)C)([n]3n([BH](n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C)c1c(F)c(F)c(F)c(F)c1.CCCCCC |
| Title of publication | Synthesis, structure, and reductive elimination in the series Tp'Rh(PR3)(Ar(F))H; determination of rhodium-carbon bond energies of fluoroaryl substituents. |
| Authors of publication | Tanabe, Taro; Brennessel, William W.; Clot, Eric; Eisenstein, Odile; Jones, William D. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 43 |
| Pages of publication | 10495 - 10509 |
| a | 10.2654 ± 0.0011 Å |
| b | 13.2828 ± 0.0014 Å |
| c | 15.0471 ± 0.0016 Å |
| α | 106.173 ± 0.002° |
| β | 107.854 ± 0.002° |
| γ | 101.522 ± 0.002° |
| Cell volume | 1782.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0424 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.0849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179966 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/60. |
7026048.cif |
| 93392 | 2014-01-13 | cif/ Adding structures of 7026039, 7026040, 7026041, 7026042, 7026043, 7026044, 7026045, 7026046, 7026047, 7026048, 7026049, 7026050, 7026051, 7026052, 7026053 via cif-deposit CGI script. |
7026048.cif |
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Users of the data should acknowledge the original authors of the
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