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Information card for entry 4335223
Preview
| Coordinates | 4335223.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H49 Au Cl O P2 Sb |
|---|---|
| Calculated formula | C34 H49 Au Cl O P2 Sb |
| SMILES | [Au]12([Sb](c3c([P]1(C(C)C)C(C)C)cccc3)(c1c([P]2(C(C)C)C(C)C)cccc1)c1ccccc1)Cl.C1COCC1 |
| Title of publication | σ-Donor/Acceptor-Confused Ligands: The Case of a Chlorostibine |
| Authors of publication | Iou-Sheng Ke; François P. Gabbaï |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 7145 - 7151 |
| a | 11.3055 ± 0.0019 Å |
| b | 14.066 ± 0.002 Å |
| c | 22.146 ± 0.004 Å |
| α | 90° |
| β | 98.752 ± 0.002° |
| γ | 90° |
| Cell volume | 3480.7 ± 1 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0367 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0526 |
| Weighted residual factors for all reflections included in the refinement | 0.0553 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' 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 700 files were changed. |
4335223.cif |
| 179455 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/52. |
4335223.cif |
| 101132 | 2014-02-10 | cif/ Adding structures of 4335223 via cif-deposit CGI script. |
4335223.cif |
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Users of the data should acknowledge the original authors of the
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