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Information card for entry 7029206
Preview
| Coordinates | 7029206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H52 B N P2 Ru |
|---|---|
| Calculated formula | C21 H52 B N P2 Ru |
| SMILES | [RuH2]12([P](C(C)(C)C)(CC[N]2(C)CC[P]1(C(C)(C)C)C(C)(C)C)C(C)(C)C)[H][BH2] |
| Title of publication | Synthesis and characterisation of ruthenium dihydrogen complexes and their reactivity towards B-H bonds. |
| Authors of publication | Choi, Jong-Hoo; Schloerer, Nils E.; Berger, Josefine; Prechtl, Martin H. G. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 1 |
| Pages of publication | 290 - 299 |
| a | 35.012 ± 0.01 Å |
| b | 8.148 ± 0.005 Å |
| c | 23.29 ± 0.005 Å |
| α | 90° |
| β | 125.001 ± 0.014° |
| γ | 90° |
| Cell volume | 5442 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1476 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.1201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.902 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209454 (current) | 2018-08-07 | cif/7/02/ Removing duplicate rows from the ATOM_TYPE loop in entries 7020557, 7020861, 7023299, 7023301, 7025796, 7026763, 7027855, 7028009, 7028478, 7029206. |
7029206.cif |
| 179998 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/92. |
7029206.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 {}' |
7029206.cif |
| 105540 | 2014-03-12 | cif/ Adding structures of 7029206 via cif-deposit CGI script. |
7029206.cif |
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Users of the data should acknowledge the original authors of the
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