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Information card for entry 7028363
Preview
| Coordinates | 7028363.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H26 Fe N O P S |
|---|---|
| Calculated formula | C26 H26 Fe N O P S |
| SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)NCCSC)[c]1([cH]8[cH]7[cH]6[cH]51)P(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis and structural characterisation of Pd(II) and Pt(II) complexes with a flexible, ferrocene-based P,S-donor amidophosphine ligand. |
| Authors of publication | Tauchman, Jiří; Císařová, Ivana; Stěpnička, Petr |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 4 |
| Pages of publication | 1599 - 1608 |
| a | 8.3665 ± 0.0002 Å |
| b | 24.8131 ± 0.0006 Å |
| c | 11.1353 ± 0.0003 Å |
| α | 90° |
| β | 99.135 ± 0.001° |
| γ | 90° |
| Cell volume | 2282.36 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.0881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
7028363.cif |
| 179989 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/83. |
7028363.cif |
| 105294 | 2014-03-12 | cif/ Adding structures of 7028363, 7028364, 7028365, 7028366, 7028367 via cif-deposit CGI script. |
7028363.cif |
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Users of the data should acknowledge the original authors of the
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