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Information card for entry 4071790
Preview
| Coordinates | 4071790.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H71 B Os3 |
|---|---|
| Calculated formula | C54 H65 B Os3 |
| SMILES | [Os]12345([Os]6789([Os]%10%11%12%131[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis of Trinuclear Osmium Polyhydrido Clusters [{(C5Me5)Os}3(μ-H)6]+and {(C5Me5)Os}3(μ-H)3(μ3-H)2and Comparison with the Ruthenium Analogues |
| Authors of publication | Kameo, Hajime; Suzuki, Hiroharu |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 16 |
| Pages of publication | 4248 |
| a | 16.8668 ± 0.0007 Å |
| b | 14.1879 ± 0.0005 Å |
| c | 20.5803 ± 0.0008 Å |
| α | 90° |
| β | 103.103 ± 0.0011° |
| γ | 90° |
| Cell volume | 4796.7 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0364 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0762 |
| Weighted residual factors for all reflections included in the refinement | 0.0791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178606 (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 4/07/17. |
4071790.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 {}' |
4071790.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071790.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071790.cif |
| 44045 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071790, 4071791 via cif-deposit CGI script. |
4071790.cif |
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Users of the data should acknowledge the original authors of the
structural data.