Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7010799
Preview
| Coordinates | 7010799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H40 N6 P2 Pd |
|---|---|
| Calculated formula | C34 H40 N6 P2 Pd |
| SMILES | [Pd]([P](C)(C)c1ccccc1)([P](C)(C)c1ccccc1)(N=C=Nc1c(cccc1C)C)c1n(nnn1)c1c(cccc1C)C |
| Title of publication | Reactions of palladium(II) and platinum(II) bis(azido) complexes with isocyanides: synthesis and structural characterization of palladium(II) and platinum(II) complexes containing carbodiimido (or bis(carbodiimido)) and bis(tetrazolato) ligands |
| Authors of publication | Yong-Joo Kim; Yong-Su Kwak; Young-Seon Joo; Soon-W. Lee |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 2 |
| Pages of publication | 144 - 151 |
| a | 10.0638 ± 0.001 Å |
| b | 16.446 ± 0.003 Å |
| c | 40.816 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6755.4 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1502 |
| Residual factor for significantly intense reflections | 0.0669 |
| Weighted residual factors for significantly intense reflections | 0.1344 |
| Weighted residual factors for all reflections included in the refinement | 0.1717 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7010799.cif |
| 179811 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/07. |
7010799.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010799.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010799.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010799.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.