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Information card for entry 7001072
Preview
| Coordinates | 7001072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H68 Br4 O2 P4 Pd4 |
|---|---|
| Calculated formula | C76 H68 Br4 O2 P4 Pd4 |
| SMILES | OCC.[P]1(c2c(cccc2)[Pd]23[P](c4c(cccc4)[Pd]41[Br][Pd]1([P](c5c(cccc5)[Pd]([Br]2)([P](c2c1cccc2)(c1ccccc1)c1ccccc1)[Br]3)(c1ccccc1)c1ccccc1)[Br]4)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.OCC |
| Title of publication | Isolation of enantiomerically pure organometallic palladium compounds: synthesis of the triangles prepared from enantiopure [cis-Pd2(C6H4PPh2)2(NCCH3)4]2+ |
| Authors of publication | Koshevoy, Igor O.; Gutierrez-Puebla, Enrique; Lahuerta, Pascual; Monge, Angeles; Ubeda, M.Angeles; Sanaú, Mercedes |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 16 |
| Pages of publication | 2993 - 2998 |
| a | 22.135 ± 0.003 Å |
| b | 22.135 ± 0.003 Å |
| c | 15.515 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7602 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0899 |
| Residual factor for significantly intense reflections | 0.0758 |
| Weighted residual factors for significantly intense reflections | 0.1883 |
| Weighted residual factors for all reflections included in the refinement | 0.202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.192 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179688 (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 7/00/10. |
7001072.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001072.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001072.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001072.cif |
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