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Information card for entry 4069676
Preview
| Coordinates | 4069676.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H30 Cl N3 O Rh |
|---|---|
| Calculated formula | C28 H30 Cl N3 O0.5 Rh |
| Title of publication | First Examples of Heteroleptic Dipyrrin/η5-Pentamethylcyclopentadienyl Rhodium/Iridium(III) Complexes and Their Catalytic Activity |
| Authors of publication | Yadav, Mahendra; Singh, Ashish Kumar; Pandey, Daya Shankar |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 16 |
| Pages of publication | 4713 |
| a | 16.047 ± 0.004 Å |
| b | 16.61 ± 0.004 Å |
| c | 19.215 ± 0.004 Å |
| α | 90° |
| β | 99.379 ± 0.004° |
| γ | 90° |
| Cell volume | 5053 ± 2 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 | 0.038 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.076 |
| Weighted residual factors for all reflections included in the refinement | 0.0784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| 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. |
4069676.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4069676.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069676.cif |
| 40384 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069676, 4069677, 4069678, 4069679 via cif-deposit CGI script. |
4069676.cif |
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Users of the data should acknowledge the original authors of the
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