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Information card for entry 7105146
Preview
| Coordinates | 7105146.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H33 I2 N6 Rh |
|---|---|
| Calculated formula | C21 H33 I2 N6 Rh |
| SMILES | c12cn(c(C)[n+]1CC1Cn3c(c[n+](c3C)C(C)C)[Rh]21(I)([N]#CC)[N]#CC)C(C)C.[I-] |
| Title of publication | Rhodium-mediated activation of an alkane-type C-H bond. |
| Authors of publication | Krüger, Anneke; Neels, Antonia; Albrecht, Martin |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2009 |
| Journal volume | 46 |
| Journal issue | 2 |
| Pages of publication | 315 - 317 |
| a | 13.2142 ± 0.0012 Å |
| b | 13.768 ± 0.0013 Å |
| c | 15.0238 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2733.3 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0464 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0846 |
| Weighted residual factors for all reflections included in the refinement | 0.0875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180155 (current) | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/51. |
7105146.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 {}' |
7105146.cif |
| 106664 | 2014-03-15 | cif/ (saulius@koala.ibt.lt) Adding DOIs to the rest of the Chem. Comm. files. Some of these files have author names differing from PubMed in diacritics (either diacritics are omitted or we have encoding problems); or they have a year difference of 1. However, since first pages always match and author names are variants of each other, I assume that DOIs are assigned correctly. |
7105146.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7105146.cif |
| 969 | 2010-02-01 | cod/cif/ Depositing CIFs from Chem-Comm-2010_1-5 processing directory. |
7105146.cif |
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