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Information card for entry 7009932
Preview
| Coordinates | 7009932.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H19 Ir O2 S2 |
|---|---|
| Calculated formula | C14 H19 Ir O2 S2 |
| Title of publication | Syntheses of diiridium complexes with two bridging tetrachalcogenide ligands [{Ir(η5-C5Me5)}2(μ-E4)2] (E = Se or S) and their reactions with alkynes forming mono- or di-nuclear dichalcogenolene complexes |
| Authors of publication | Nagao, Shoken; Seino, Hidetake; Okada, Tomohiko; Mizobe, Yasushi; Hidai, Masanobu |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 20 |
| Pages of publication | 3546 |
| a | 9.237 ± 0.002 Å |
| b | 12.154 ± 0.003 Å |
| c | 15.017 ± 0.003 Å |
| α | 76.46 ± 0.02° |
| β | 79.22 ± 0.01° |
| γ | 87.65 ± 0.02° |
| Cell volume | 1610.1 ± 0.6 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0336 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0323 |
| Weighted residual factors for all reflections included in the refinement | 0.0323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.647 |
| 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. |
7009932.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. |
7009932.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009932.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009932.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009932.cif |
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Users of the data should acknowledge the original authors of the
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