Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2227624
Preview
| Coordinates | 2227624.cif |
|---|---|
| Structure factors | 2227624.hkl |
| Original IUCr paper | HTML |
| Chemical name | [2-(Diphenylphosphanyl)benzenethiolato-κ^2^<i>P</i>,<i>S</i>](pyridine-2- thiolato-κ<i>S</i>)(triphenylphosphine-κ<i>P</i>)palladium(II) |
|---|---|
| Formula | C41 H33 N P2 Pd S2 |
| Calculated formula | C41 H33 N P2 Pd S2 |
| Title of publication | [2-(Diphenylphosphanyl)benzenethiolato-κ^2^<i>P</i>,<i>S</i>](pyridine-2-thiolato-κ<i>S</i>)(triphenylphosphine-κ<i>P</i>)palladium(II) |
| Authors of publication | Ríos-Sanchez, Raúl; Hernández-Ortega, Simón; Morales-Morales, David; Avila-Sorrosa, Alcives |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1170 - m1171 |
| a | 11.399 ± 0.005 Å |
| b | 12.178 ± 0.005 Å |
| c | 13.467 ± 0.005 Å |
| α | 83.623 ± 0.005° |
| β | 76.379 ± 0.005° |
| γ | 75.135 ± 0.005° |
| Cell volume | 1753.5 ± 1.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0801 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181197 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/76. |
2227624.cif 2227624.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227624.cif 2227624.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227624.cif 2227624.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. | 2227624.cif 2227624.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227624.cif 2227624.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227624.cif 2227624.hkl |
| 4661 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227624 via cif-deposit CGI script. |
2227624.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.