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Information card for entry 4319534
Preview
| Coordinates | 4319534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H50 Cl2 P2 Ru2 S2 Ti |
|---|---|
| Calculated formula | C51 H50 Cl2 P2 Ru2 S2 Ti |
| Title of publication | Synthesis of TiRu2 Heterobimetallic and TiRuM (M = Rh, Ir, Pd, Pt) Heterotrimetallic Sulfido Clusters from a Hydrosulfido-Bridged Titanium-Ruthenium Complex |
| Authors of publication | Shigeki Kuwata; Shin-ichiro Kabashima; Nobuyuki Sugiyama; Youichi Ishii; Masanobu Hidai |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 2034 - 2040 |
| a | 12.448 ± 0.004 Å |
| b | 12.773 ± 0.004 Å |
| c | 17.27 ± 0.004 Å |
| α | 100.16 ± 0.02° |
| β | 99.93 ± 0.02° |
| γ | 114.11 ± 0.03° |
| Cell volume | 2373.9 ± 1.4 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 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 | 0.0453 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.0444 |
| Weighted residual factors for all reflections included in the refinement | 0.0444 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.443 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4319534.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. |
4319534.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319534.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319534.cif |
| 16334 | 2011-03-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4319534 via cif-deposit CGI script. |
4319534.cif |
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Users of the data should acknowledge the original authors of the
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