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Information card for entry 7000821
Preview
| Coordinates | 7000821.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H60 B Cl0 F4 N3 O5 P3 Rh |
|---|---|
| Calculated formula | C66 H54 B F4 N3 O5 P3 Rh |
| SMILES | C123[Rh]4([P](n5c1c(c1c5cccc1)C)(c1ccccc1)c1ccccc1)([O]=C(O4)C)([P](n1c2c(c2c1cccc2)C)(c1ccccc1)c1ccccc1)[P](n1c3c(c2c1cccc2)C)(c1ccccc1)c1ccccc1.O.O.[B](F)(F)(F)[F-].O |
| Title of publication | Synthesis and reactivity of the novel hydride derivative RhHCl(TIMP3) (HTIMP3 = tris[1-(diphenylphosphino)-3-methyl-1H-indol-2-yl]methane) |
| Authors of publication | Ciclosi, Marco; Estevan, Francisco; Lahuerta, Pascual; Passarelli, Vincenzo; Pérez-Prieto, Julia; Sanaú, Mercedes |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 13 |
| Pages of publication | 2290 - 2297 |
| a | 11.067 ± 0.0003 Å |
| b | 13.374 ± 0.0004 Å |
| c | 20.883 ± 0.0006 Å |
| α | 101.737 ± 0.0017° |
| β | 92.49 ± 0.0016° |
| γ | 90.316 ± 0.0013° |
| Cell volume | 3023.09 ± 0.15 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1598 |
| Residual factor for significantly intense reflections | 0.1223 |
| Weighted residual factors for significantly intense reflections | 0.3216 |
| Weighted residual factors for all reflections included in the refinement | 0.3831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.69 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179686 (current) | 2016-03-24 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/08. |
7000821.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000821.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000821.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000821.cif |
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