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Information card for entry 7110488
Preview
| Coordinates | 7110488.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H40 Cu2 P2 S4 Ti2 |
|---|---|
| Calculated formula | C46 H40 Cu2 P2 S4 Ti2 |
| Title of publication | Syntheses of mixed-metal M2Ti2S4 cubane-type sulfido clusters (M = Ru, Rh, Ir, Cu) from a dinuclear organometallic thiotitanate anion |
| Authors of publication | Amemiya, Takashi; Kuwata, Shigeki; Hidai, Masanobu |
| Journal of publication | Chemical Communications |
| Year of publication | 1999 |
| Journal issue | 8 |
| Pages of publication | 711 |
| a | 25.876 ± 0.003 Å |
| b | 11.435 ± 0.004 Å |
| c | 31.271 ± 0.004 Å |
| α | 90° |
| β | 105.849 ± 0.009° |
| γ | 90° |
| Cell volume | 8901 ± 3 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.0353 |
| Weighted residual factors for all reflections included in the refinement | 0.0353 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.377 |
| 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. |
7110488.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. |
7110488.cif |
| 95255 | 2014-01-28 | cif/ Adding structures of 7110487, 7110488 via cif-deposit CGI script. |
7110488.cif |
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Users of the data should acknowledge the original authors of the
structural data.