Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2229347
Preview
| Coordinates | 2229347.cif |
|---|---|
| Structure factors | 2229347.hkl |
| Original IUCr paper | HTML |
| Chemical name | Acetonitrile[2-({bis[2,4,6- tris(trifluoromethyl)phenyl]phosphanyloxy}methyl)pyridine]methylpalladium(II) hexafluoridoantimonate dichloromethane hemisolvate |
|---|---|
| Formula | C27.5 H17 Cl F24 N2 O P Pd Sb |
| Calculated formula | C27.5 H17 Cl F24 N2 O P Pd Sb |
| Title of publication | Acetonitrile[2-({bis[2,4,6-tris(trifluoridomethyl)phenyl]phosphanyloxy}methyl)pyridine]methylpalladium(II) hexafluoroantimonate dichloromethane hemisolvate |
| Authors of publication | Li, Liuzhong; White, Peter S.; Hao, Aiyou |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 3 |
| Pages of publication | m366 |
| a | 8.6993 ± 0.0004 Å |
| b | 11.812 ± 0.0005 Å |
| c | 18.1494 ± 0.0008 Å |
| α | 78.557 ± 0.002° |
| β | 82.007 ± 0.002° |
| γ | 79.526 ± 0.002° |
| Cell volume | 1787.14 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0392 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181214 (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 2/22/93. |
2229347.cif 2229347.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. |
2229347.cif 2229347.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229347.cif 2229347.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. | 2229347.cif 2229347.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229347.cif 2229347.hkl |
| 17966 | 2011-04-13 | hkl/: adding the rest of Fobs files for the recent IUCr deposit. | 2229347.cif 2229347.hkl |
| 17392 | 2011-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2229347 via cif-deposit CGI script. |
2229347.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.