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Information card for entry 2232572
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| Coordinates | 2232572.cif |
|---|---|
| Structure factors | 2232572.hkl |
| Original IUCr paper | HTML |
| Common name | weixrs01 |
|---|---|
| Chemical name | [2,2'-Bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>'] chlorido(4-methylphenylsulfonyl-κ<i>S</i>)palladium(II) dichloromethane trisolvate monohydrate |
| Formula | C54 H47 Cl7 O3 P2 Pd S |
| Calculated formula | C54 H47 Cl7 O3 P2 Pd S |
| Title of publication | [2,2'-Bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']chlorido(4-methylphenylsulfonyl-κ<i>S</i>)palladium(II) dichloromethane trisolvate monohydrate |
| Authors of publication | Shrestha, Ruja; Brennessel, William W.; Weix, Daniel J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1830 |
| a | 12.7273 ± 0.0012 Å |
| b | 13.7474 ± 0.0013 Å |
| c | 16.533 ± 0.003 Å |
| α | 101.808 ± 0.002° |
| β | 101.339 ± 0.002° |
| γ | 109.743 ± 0.002° |
| Cell volume | 2551.8 ± 0.6 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 | 0.0825 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1138 |
| Weighted residual factors for all reflections included in the refinement | 0.1277 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181247 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/25. |
2232572.cif 2232572.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232572.cif 2232572.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232572.cif 2232572.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232572.cif 2232572.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232572.cif 2232572.hkl |
| 31445 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232572 via cif-deposit CGI script. |
2232572.cif |
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Users of the data should acknowledge the original authors of the
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