Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4319535
Preview
| Coordinates | 4319535.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H32 Cl Rh Ru S2 Ti |
|---|---|
| Calculated formula | C23 H17 Cl Rh Ru 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 | 7.714 ± 0.002 Å |
| b | 11.598 ± 0.003 Å |
| c | 14.802 ± 0.004 Å |
| α | 80.46 ± 0.02° |
| β | 82.53 ± 0.02° |
| γ | 71.47 ± 0.02° |
| Cell volume | 1234 ± 0.6 Å3 |
| Cell temperature | 294.2 K |
| Ambient diffraction temperature | 294.2 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 | 0.0422 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0543 |
| Weighted residual factors for all reflections included in the refinement | 0.0543 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.134 |
| 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. |
4319535.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. |
4319535.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319535.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319535.cif |
| 16335 | 2011-03-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4319535 via cif-deposit CGI script. |
4319535.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.