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Information card for entry 7003263
Preview
| Coordinates | 7003263.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H40 F20 N4 O4 Pd |
|---|---|
| Calculated formula | C52 H40 F20 N4 O4 Pd |
| Title of publication | A series of metal complexes with the non-innocent N,N′-bis(pentafluorophenyl)-o-phenylenediamido ligand: twisted geometry for tuning the electronic structure |
| Authors of publication | Khusniyarov, Marat M.; Harms, Klaus; Burghaus, Olaf; Sundermeyer, Jörg; Sarkar, Biprajit; Kaim, Wolfgang; van Slageren, Joris; Duboc, Carole; Fiedler, Jan |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 10 |
| Pages of publication | 1355 - 1365 |
| a | 15.0923 ± 0.0014 Å |
| b | 19.202 ± 0.0014 Å |
| c | 35.566 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10307.1 ± 1.5 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 70 |
| Hermann-Mauguin space group symbol | F d d d :2 |
| Hall space group symbol | -F 2uv 2vw |
| Residual factor for all reflections | 0.0689 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.0987 |
| Weighted residual factors for all reflections included in the refinement | 0.1064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7003263.cif |
| 179736 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/32. |
7003263.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003263.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003263.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003263.cif |
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