Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2237346
Preview
| Coordinates | 2237346.cif |
|---|---|
| Structure factors | 2237346.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-chlorido-bis{[2-(di-<i>tert</i>-butylphosphanyl)biphenyl-3-yl- κ^2^<i>C</i>^3^,<i>P</i>]palladium(II)} dichloromethane disolvate |
|---|---|
| Formula | C42 H56 Cl6 P2 Pd2 |
| Calculated formula | C42 H56 Cl6 P2 Pd2 |
| SMILES | c12c(cccc1c1ccccc1)[Pd]1([P]2(C(C)(C)C)C(C)(C)C)[Cl][Pd]2(c3c(c(ccc3)c3ccccc3)[P]2(C(C)(C)C)C(C)(C)C)[Cl]1.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Di-μ-chlorido-bis{[2-(di-<i>tert</i>-butylphosphanyl)biphenyl-3-yl-κ^2^<i>C</i>^3^,<i>P</i>]palladium(II)} dichloromethane disolvate |
| Authors of publication | Holzapfel, Cedric W.; Omondi, Bernard |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | m86 |
| a | 9.4741 ± 0.0015 Å |
| b | 10.1805 ± 0.0015 Å |
| c | 12.0677 ± 0.0018 Å |
| α | 103.25 ± 0.004° |
| β | 95.443 ± 0.003° |
| γ | 97.08 ± 0.003° |
| Cell volume | 1115.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0589 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0847 |
| Weighted residual factors for all reflections included in the refinement | 0.0936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181295 (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 2/23/73. |
2237346.cif 2237346.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. |
2237346.cif 2237346.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. | 2237346.cif 2237346.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237346.cif 2237346.hkl |
| 75357 | 2013-03-09 | cif/ Adding structures of 2237346 via cif-deposit CGI script. |
2237346.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.