Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2231966
Preview
| Coordinates | 2231966.cif |
|---|---|
| Structure factors | 2231966.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido[1-(2,6-dimethylphenylimino)-1,2-diphenylpropan-2-ol- κ^2^<i>N</i>,<i>O</i>]palladium(II) methanol monosolvate |
|---|---|
| Formula | C24 H27 Cl2 N O2 Pd |
| Calculated formula | C24 H27 Cl2 N O2 Pd |
| SMILES | [Pd]1(Cl)(Cl)[N](=C(C(c2ccccc2)(C)[OH]1)c1ccccc1)c1c(cccc1C)C.CO |
| Title of publication | Dichlorido[1-(2,6-dimethylphenylimino)-1,2-diphenylpropan-2-ol-κ^2^<i>N</i>,<i>O</i>]palladium(II) methanol monosolvate |
| Authors of publication | Liu, Feng-Shou; Huang, Ying-Tang; Shen, Dong-Sheng; Yao, Hua-Gang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1435 |
| a | 10.943 ± 0.003 Å |
| b | 19.77 ± 0.006 Å |
| c | 14.23 ± 0.003 Å |
| α | 90° |
| β | 129.232 ± 0.013° |
| γ | 90° |
| Cell volume | 2384.6 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0577 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.0755 |
| Weighted residual factors for all reflections included in the refinement | 0.0822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181241 (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 2/23/19. |
2231966.cif 2231966.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. |
2231966.cif 2231966.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231966.cif 2231966.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. | 2231966.cif 2231966.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2231966.cif 2231966.hkl |
| 29252 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2231966 via cif-deposit CGI script. |
2231966.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.