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Information card for entry 4077346
Preview
| Coordinates | 4077346.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H30 Co N O16 P2 Ru5 |
|---|---|
| Calculated formula | C53 H30 Co N O16 P2 Ru5 |
| Title of publication | Mass Spectrometric Method for the Rapid Characterization of Transition Metal Carbonyl Cluster Reaction Mixtures |
| Authors of publication | Dyson, Paul J.; Hearley, Andrew K.; Johnson, Brian F. G.; Khimyak, Tetyana; McIndoe, J. Scott; Langridge-Smith, Patrick R. R. |
| Journal of publication | Organometallics |
| Year of publication | 2001 |
| Journal volume | 20 |
| Journal issue | 19 |
| Pages of publication | 3970 |
| a | 15.165 ± 0.0003 Å |
| b | 17.131 ± 0.0002 Å |
| c | 20.941 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5440.3 ± 0.15 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0541 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0601 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178662 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/73. |
4077346.cif |
| 134573 | 2015-04-01 | cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values. |
4077346.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077346.cif |
| 54302 | 2012-04-24 | cif/ Adding structures of 4077346 via cif-deposit CGI script. |
4077346.cif |
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Users of the data should acknowledge the original authors of the
structural data.