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Information card for entry 4074105
Preview
| Coordinates | 4074105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H43 Cl12 F3 N8 Ru2 |
|---|---|
| Calculated formula | C72 H43 Cl12.03 F3 N8 Ru2 |
| Title of publication | Negishi Couplingî—¸Expedient Formation of Biphenyls on the Periphery of Inorganic/Organometallic Diruthenium Species |
| Authors of publication | Zhang, Lei; Huang, Zhihong; Chen, Wei-Zhong; Negishi, Ei-ichi; Fanwick, Phillip E.; Updegraff, James B.; Protasiewicz, John D.; Ren, Tong |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 26 |
| Pages of publication | 6526 |
| a | 14.408 ± 0.006 Å |
| b | 24.52 ± 0.009 Å |
| c | 24.802 ± 0.01 Å |
| α | 90° |
| β | 98.012 ± 0.005° |
| γ | 90° |
| Cell volume | 8677 ± 6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1105 |
| Residual factor for significantly intense reflections | 0.0657 |
| Weighted residual factors for significantly intense reflections | 0.1639 |
| Weighted residual factors for all reflections included in the refinement | 0.1806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178630 (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 4/07/41. |
4074105.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4074105.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074105.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4074105.cif |
| 46744 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4074104, 4074105 via cif-deposit CGI script. |
4074105.cif |
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Users of the data should acknowledge the original authors of the
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