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Information card for entry 2239405
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| Coordinates | 2239405.cif |
|---|---|
| Structure factors | 2239405.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Chlorido(4-fluorobenzenethiolato-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)palladium(II) methanol hemisolvate |
|---|---|
| Formula | C42.5 H36 Cl F O0.5 P2 Pd S |
| Calculated formula | C42.5 H36 Cl F O0.5 P2 Pd S |
| Title of publication | <i>trans</i>-Chlorido(4-fluorobenzenethiolato-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)palladium(II) methanol hemisolvate |
| Authors of publication | Avila-Sorrosa, Alcives; Santacruz-Juárez, Ericka; Reyes-Arellano, Alicia; Reyes-Martínez, Reyna; Morales-Morales, David |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | m92 - m93 |
| a | 18.9189 ± 0.0016 Å |
| b | 9.6909 ± 0.0008 Å |
| c | 21.6179 ± 0.0018 Å |
| α | 90° |
| β | 106.212 ± 0.001° |
| γ | 90° |
| Cell volume | 3805.8 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0606 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239405.cif 2239405.hkl |
| 181313 | 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 2/23/94. |
2239405.cif 2239405.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2239405.cif 2239405.hkl |
| 110688 | 2014-04-19 | cif/ hkl/ Adding structures of 2239405 via cif-deposit CGI script. |
2239405.cif 2239405.hkl |
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