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Information card for entry 4300034
Preview
| Coordinates | 4300034.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H10 F8 N6 Pd |
|---|---|
| Calculated formula | C22 H10 F8 N6 Pd |
| SMILES | [Pd]1([n]2cnc(cc2[n]2[n]1ccc2)n1nccc1)(c1c(cc(c(c1F)F)F)F)c1c(c(c(cc1F)F)F)F |
| Title of publication | Pd(II) Complexes with Polydentate Nitrogen Ligands. Molecular Recognition and Dynamic Behavior Involving Pd-N Bond Rupture. X-ray Molecular Structures of [{Pd(C~6~HF~4~)~2~}(bpzm)] and [{PdΜ^3^-(C~4~H~7~)}~2~(bpzm)]CF~3~SO~3~)~2~ [bpzpm = 4,6-Bis(pyrazol-1-yl)pyrimidine] |
| Authors of publication | Felipe Gómez-de la Torre; Antonio de la Hoz; Félix A. Jalón; Blanca R. Manzano; Ana M. Rodríguez; José Elguero; Martín Martínez-Ripoll |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 1152 - 1162 |
| a | 8.845 ± 0.006 Å |
| b | 12.6609 ± 0.0009 Å |
| c | 12.826 ± 0.003 Å |
| α | 88.45 ± 0.02° |
| β | 74.36 ± 0.03° |
| γ | 89.32 ± 0.02° |
| Cell volume | 1382.6 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1373 |
| Residual factor for significantly intense reflections | 0.0798 |
| Weighted residual factors for significantly intense reflections | 0.2452 |
| Weighted residual factors for all reflections included in the refinement | 0.3077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 120081 (current) | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4300034.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4300034.cif |
| 19562 | 2011-05-20 | cif/4 Updating CIFs and SQL entries with data downloaded from Issue 6 of Inorg. Chem. 2000 |
4300034.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. |
4300034.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4300034.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4300034.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4300034.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4300034.cif |
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Users of the data should acknowledge the original authors of the
structural data.