Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2229639
Preview
| Coordinates | 2229639.cif |
|---|---|
| Structure factors | 2229639.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Bis[1-(2-anilino-2-oxoethyl)-3-benzyl-1<i>H</i>- imidazol-2-yl]palladium(II) methanol disolvate |
|---|---|
| Formula | C38 H40 N6 O4 Pd |
| Calculated formula | C38 H40 N6 O4 Pd |
| SMILES | C12N(C=CN1CC(=O)N(c1ccccc1)[Pd]1=2=C2N(C=CN2Cc2ccccc2)CC(=O)N1c1ccccc1)Cc1ccccc1.OC.OC |
| Title of publication | <i>trans</i>-Bis[1-(2-anilino-2-oxoethyl)-3-benzyl-1<i>H</i>-imidazol-2-yl]palladium(II) methanol disolvate |
| Authors of publication | Lee, Hon Man; Chang, Yu-Chuan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | m467 |
| a | 17.822 ± 0.002 Å |
| b | 9.0616 ± 0.0011 Å |
| c | 21.473 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3467.8 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0731 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0706 |
| Weighted residual factors for all reflections included in the refinement | 0.0842 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181217 (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 2/22/96. |
2229639.cif 2229639.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. |
2229639.cif 2229639.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229639.cif 2229639.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. | 2229639.cif 2229639.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229639.cif 2229639.hkl |
| 19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2229639.cif 2229639.hkl |
| 19099 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2229639 via cif-deposit CGI script. |
2229639.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.