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Information card for entry 7103872
Preview
| Coordinates | 7103872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C66 H68 B F24 N3 P2 Pd |
|---|---|
| Calculated formula | C66 H68 B F24 N3 P2 Pd |
| Title of publication | A five coordinate PdII complex stable in solution and in the solid state |
| Authors of publication | Martin Broring; Carsten D. Brandt |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2003 |
| a | 14.5341 ± 0.0011 Å |
| b | 15.1714 ± 0.0011 Å |
| c | 17.1442 ± 0.0012 Å |
| α | 95.971 ± 0.001° |
| β | 97.231 ± 0.001° |
| γ | 105.826 ± 0.001° |
| Cell volume | 3570 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.0996 |
| Weighted residual factors for all reflections included in the refinement | 0.1012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301853 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
7103872.cif |
| 211332 | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7103872.cif |
| 180141 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/38. |
7103872.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7103872.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7103872.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7103872.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
7103872.cif |
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Users of the data should acknowledge the original authors of the
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