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Information card for entry 7113820
Preview
| Coordinates | 7113820.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H33 B10 F4 Rh S2 |
|---|---|
| Calculated formula | C14 H33 B10 F4 Rh S2 |
| SMILES | [Rh]1234567([CH]89%10[BH]%11%121[BH]1%138[BH]8%149[BH]92%10[BH]2%10%14[BH]%14%138[C]8%121([S](C)C)[BH]13%11[B]492([S](C)C)[BH]%10%1481)[CH]1=[CH]5CC[CH]6=[CH]7CC1.[B](F)(F)(F)[F-] |
| Title of publication | Neutral nido-heteroboranes with non ionisable hydrogen as arenes in coordination |
| Authors of publication | Tutusaus, Oscar; Viñas, Clara; Kivekäs, Raikko; Sillanpää, Reijo; Teixidor, Francesc |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 19 |
| Pages of publication | 2458 - 2459 |
| a | 18.025 ± 0.0004 Å |
| b | 9.7443 ± 0.0002 Å |
| c | 13.7608 ± 0.0002 Å |
| α | 90° |
| β | 105.872 ± 0.0006° |
| γ | 90° |
| Cell volume | 2324.82 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.032 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.0497 |
| Weighted residual factors for all reflections included in the refinement | 0.0522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7104812 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210720 (current) | 2018-09-10 | cif/7/ Updating bibliography in entries 7104812, 7113820. Marking entry 7113820 as a duplicate of entry 7104812. |
7113820.cif |
| 180252 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/38. |
7113820.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 {}' |
7113820.cif |
| 115292 | 2014-06-02 | cif/ Adding structures of 7113820 via cif-deposit CGI script. |
7113820.cif |
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Users of the data should acknowledge the original authors of the
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