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Information card for entry 4324073
Preview
| Coordinates | 4324073.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H41 N2 O2 Rh |
|---|---|
| Calculated formula | C31 H41 N2 O2 Rh |
| SMILES | [Rh]1(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)(C#[O])C#[O] |
| Title of publication | Redox Behavior of Rhodium 9,10-Phenanthrenediimine Complexes |
| Authors of publication | David W. Shaffer; Scott A. Ryken; Ryan A. Zarkesh; Alan F. Heyduk |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 13 - 21 |
| a | 35.218 ± 0.006 Å |
| b | 9.3465 ± 0.0016 Å |
| c | 20.861 ± 0.004 Å |
| α | 90° |
| β | 120.613 ± 0.002° |
| γ | 90° |
| Cell volume | 5909.7 ± 1.8 Å3 |
| Cell temperature | 151 ± 2 K |
| Ambient diffraction temperature | 151 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0245 |
| Residual factor for significantly intense reflections | 0.0209 |
| Weighted residual factors for significantly intense reflections | 0.0528 |
| Weighted residual factors for all reflections included in the refinement | 0.0554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179343 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/40. |
4324073.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 {}' |
4324073.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324073.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4324073.cif |
| 24364 | 2011-08-23 | ../uploads/cif-deposit/cod/cif Adding structures of 4324073 via cif-deposit CGI script. |
4324073.cif |
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