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Information card for entry 7001070
Preview
| Coordinates | 7001070.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C150 H108 O12 P6 Pd6 |
|---|---|
| Calculated formula | C150 H108 O12 P6 Pd6 |
| SMILES | C12c3ccc(cc3)c3ccc(cc3)C3=[O][Pd]456[O]=C(c7ccc(c8ccc(cc8)C8=[O][Pd]9%10%11[O]=C(c%12ccc(c%13ccc(C%14=[O][Pd]%15%16([O]=1)[P](c1c(cccc1)[Pd]%16(O2)(O%14)[P](c1c%15cccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)cc%13)cc%12)O[Pd]%11(O8)([P](c1c%10cccc1)(c1ccccc1)c1ccccc1)c1c([P]9(c2ccccc2)c2ccccc2)cccc1)cc7)O[Pd]6(O3)([P](c1c5cccc1)(c1ccccc1)c1ccccc1)c1c([P]4(c2ccccc2)c2ccccc2)cccc1 |
| 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 | 25.531 ± 0.002 Å |
| b | 25.531 ± 0.002 Å |
| c | 21.106 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 11914 ± 2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0974 |
| Residual factor for significantly intense reflections | 0.0783 |
| Weighted residual factors for significantly intense reflections | 0.192 |
| Weighted residual factors for all reflections included in the refinement | 0.2036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| 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. |
7001070.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001070.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001070.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001070.cif |
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