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Information card for entry 1517871
Preview
| Coordinates | 1517871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H17 Cl2 F12 Fe Hg3 P5 |
|---|---|
| Calculated formula | C29 H17 Cl2 F12 Fe Hg3 P5 |
| SMILES | [Hg]1c2c([Hg]c3c([Hg]c4c1c(F)c(F)c(F)c4F)c(F)c(F)c(F)c3F)c(F)c(F)c(F)c2F.[Fe]12345678(P9[P]1=[P]2[P]3=[P]49)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.ClCCl |
| Title of publication | A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury |
| Authors of publication | Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 1 |
| Pages of publication | 132 |
| a | 11.733 ± 0.0002 Å |
| b | 12.1852 ± 0.0002 Å |
| c | 13.1641 ± 0.0002 Å |
| α | 85.129 ± 0.001° |
| β | 80.243 ± 0.001° |
| γ | 74.103 ± 0.002° |
| Cell volume | 1782.43 ± 0.05 Å3 |
| Cell temperature | 123 ± 1 K |
| Ambient diffraction temperature | 123 ± 1 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 | 0.0223 |
| Residual factor for significantly intense reflections | 0.017 |
| Weighted residual factors for significantly intense reflections | 0.0307 |
| Weighted residual factors for all reflections included in the refinement | 0.0311 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.897 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517871.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
1517871.cif |
| 130966 | 2015-02-04 | cif/ Updating files of 1517871, 1517872, 1517873, 1517874, 1517875, 1517876, 1517877, 1517878, 1517879, 1517880 Original log message: Adding full bibliography for 1517871--1517880.cif. |
1517871.cif |
| 124465 | 2014-10-02 | cif/ Adding structures of 1517871, 1517872, 1517873, 1517874, 1517875, 1517876, 1517877, 1517878, 1517879, 1517880 via cif-deposit CGI script. |
1517871.cif |
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Users of the data should acknowledge the original authors of the
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