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Information card for entry 7011506
Preview
| Coordinates | 7011506.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H63 Cl Ir2 N2 O6 S6 |
|---|---|
| Calculated formula | C48 H63 Cl Ir2 N2 O6 S6 |
| Title of publication | Nucleophilic addition and substitution reactions on the sulfur atoms bound to two Ir atoms. Conversion of a hydrosulfido complex [(??5-C5Me5)2Ir2(??-SH)3]Cl into a series of diiridium complexes with bridging thiolato ligands |
| Authors of publication | Takagi, Fusao; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 18 |
| Pages of publication | 3603 |
| a | 11.943 ± 0.002 Å |
| b | 22.055 ± 0.002 Å |
| c | 20.508 ± 0.002 Å |
| α | 90° |
| β | 90.01 ± 0.01° |
| γ | 90° |
| Cell volume | 5401.9 ± 1.2 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0353 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0364 |
| Weighted residual factors for all reflections included in the refinement | 0.0364 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.349 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7011506.cif |
| 134283 | 2015-03-24 | cif/ (antanas@echidna.ibt.lt) Replaced '_reflns_observed_expression', '_atom_type_scat_imag' and '_atom_site_calc_flags' tags with their correct tag counterparts ('_reflns_threshold_expression', '_atom_type_scat_dispersion_imag', '_atom_site_calc_flag'). The following command was used on the CIFs containing the tags: xargs -n1 -I{} sh -c 'cif_correct_tags --r cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst {} | cif_filter -h {} | sponge {}' A total of 124 files were changed. |
7011506.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011506.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011506.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011506.cif |
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