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Information card for entry 7008533
Preview
| Coordinates | 7008533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H21 Re S8 |
|---|---|
| Calculated formula | C24 H12 Re S8 |
| SMILES | [Re]123([S]=C(SS1)c1ccc(cc1)C)([S]=C(SS2)c1ccc(cc1)C)[S]=C(S3)c1ccc(cc1)C |
| Title of publication | Syntheses and reactivity of 'sulfur rich' Re(iii) and Tc(iii) complexes containing trithioperoxybenzoate, dithiobenzoate and dithiocarbamate ligands. |
| Authors of publication | Lepareur, Nicolas; Mévellec, Franck; Noiret, Nicolas; Refosco, Fiorenzo; Tisato, Francesco; Porchia, Marina; Bandoli, Giuliano |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2005 |
| Journal issue | 17 |
| Pages of publication | 2866 - 2875 |
| a | 5.984 ± 0.0012 Å |
| b | 12.106 ± 0.002 Å |
| c | 20.618 ± 0.004 Å |
| α | 101.61 ± 0.03° |
| β | 92.87 ± 0.03° |
| γ | 94.22 ± 0.03° |
| Cell volume | 1455.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1075 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.0908 |
| Weighted residual factors for all reflections included in the refinement | 0.1184 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.81 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179789 (current) | 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 7/00/85. |
7008533.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008533.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008533.cif |
| 31984 | 2012-01-04 | cif/ Changing data item '_diffrn_standards_decay_% negligible' to '_diffrn_standards_decay_% 0'. |
7008533.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008533.cif |
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Users of the data should acknowledge the original authors of the
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