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Information card for entry 7112767
Preview
| Coordinates | 7112767.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H32 Cl4 N6 O1.92 Rh2 |
|---|---|
| Calculated formula | C31 H32 Cl4 N6 O1.92 Rh2 |
| Title of publication | Dioxygen activation by mixed-valent dirhodium complexes of redox non-innocent azoaromatic ligands. |
| Authors of publication | Paul, Nanda D.; Krämer, Tobias; McGrady, John E.; Goswami, Sreebrata |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 38 |
| Pages of publication | 7124 - 7126 |
| a | 9.3221 ± 0.0006 Å |
| b | 13.9691 ± 0.0009 Å |
| c | 25.3913 ± 0.0016 Å |
| α | 90° |
| β | 98.991 ± 0.002° |
| γ | 90° |
| Cell volume | 3265.9 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0612 |
| Weighted residual factors for all reflections included in the refinement | 0.0664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
7112767.cif |
| 180241 | 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 7/11/27. |
7112767.cif |
| 112080 | 2014-04-29 | cif/ Adding structures of 7112767, 7112768 via cif-deposit CGI script. |
7112767.cif |
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Users of the data should acknowledge the original authors of the
structural data.