Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4319360
Preview
| Coordinates | 4319360.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H37 Cl N4 O3 P2 Ru |
|---|---|
| Calculated formula | C44 H37 Cl N4 O3 P2 Ru |
| Title of publication | Chemical Control on the Coordination Mode of Benzaldehyde Semicarbazone Ligands. Synthesis, Structure, and Redox Properties of Ruthenium Complexes |
| Authors of publication | Falguni Basuli; Shie-Ming Peng; Samaresh Bhattacharya |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 1126 - 1133 |
| a | 9.7178 ± 0.001 Å |
| b | 17.4695 ± 0.0023 Å |
| c | 23.109 ± 0.003 Å |
| α | 90° |
| β | 91.864 ± 0.012° |
| γ | 90° |
| Cell volume | 3921 ± 0.8 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.04 |
| Goodness-of-fit parameter for significantly intense reflections | 1.26 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MolybdenumKα |
| 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. |
4319360.cif |
| 131926 | 2015-02-17 | cif/4/31/93/ (antanas@koala.ibt.lt) Separating tag values in '_atom_site_aniso' loop that were "glued" together for CIF 4319360. |
4319360.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319360.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319360.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4319360.cif |
| 16092 | 2011-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4319360 via cif-deposit CGI script. |
4319360.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.