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Information card for entry 4074052
Preview
| Coordinates | 4074052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H44 B20 O5 Ru2 S4 Se2 |
|---|---|
| Calculated formula | C18 H44 B20 O5 Ru2 S4 Se2 |
| Title of publication | Diruthenium Half-Sandwich Complexes Containing One μ-E2(E = S, Se) Unit and Two Chelating 1,2-Dicarba-closo-dodecaborane-1,2-dithiolate Ligands: Reactivity Studies with Methyl Acetylene Carboxylates |
| Authors of publication | Wu, De-Hong; Xu, Bao-Hua; Li, Yi-Zhi; Yan, Hong |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 25 |
| Pages of publication | 6300 |
| a | 11.274 ± 0.002 Å |
| b | 22.082 ± 0.005 Å |
| c | 20.768 ± 0.005 Å |
| α | 90° |
| β | 103.722 ± 0.003° |
| γ | 90° |
| Cell volume | 5022.7 ± 1.9 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0653 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4074052.cif |
| 132589 | 2015-03-02 | cif/ (antanas@koala.ibt.lt) Multiple CIFs contained incorrect '_refined_diff_density_rms' tag values, consisting of the actual numerical values and a trailing substrings that were accidentaly concatinated to the end of the values. The values were malformed upon deposition due to incorrect comment markup (comments were not prefixed with a '#' symbol). The folllowing command was carried to remove the trailing substrings: find . -name *.cif | xargs perl -0777 -i -pe "s/_refine_diff_density_rms\s*\'(\d*\.\d*)\s.*/_refine_diff_density_rms \1/" After the modifications 'cif_filter' script was used on all affected CIFs and changed values were inspected manually to avoid introduction of new errors (the trailling string might not be an artifact, but a misplaced e.s.d. value or a measurement unit symbol that implies the need of numerical value conversion). |
4074052.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074052.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4074052.cif |
| 46702 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4074047, 4074048, 4074049, 4074050, 4074051, 4074052, 4074053 via cif-deposit CGI script. |
4074052.cif |
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