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Information card for entry 4083904
Preview
| Coordinates | 4083904.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H35 N4 Rh |
|---|---|
| Calculated formula | C47 H35 N4 Rh |
| SMILES | c12=C(c3ccc4=C(c5ccc6C(=c7ccc8C(=c(cc1)n2[Rh](CCC)([n]78)(n56)[n]34)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Alkylation of Rhodium Porphyrins Using Ammonium and Quinolinium Salts |
| Authors of publication | Thompson, Samuel J.; Dong, Guangbin |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 14 |
| Pages of publication | 3757 |
| a | 9.9873 ± 0.0005 Å |
| b | 16.2797 ± 0.0008 Å |
| c | 21.6289 ± 0.0011 Å |
| α | 90° |
| β | 95.864 ± 0.003° |
| γ | 90° |
| Cell volume | 3498.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0439 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0765 |
| Weighted residual factors for all reflections included in the refinement | 0.0815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' 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 524 files were changed. |
4083904.cif |
| 178728 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/39. |
4083904.cif |
| 121329 | 2014-08-05 | cif/ Updating files of 4083903, 4083904, 4083905, 4083906, 4083907 Original log message: Adding full bibliography for 4083903--4083907.cif. |
4083904.cif |
| 119597 | 2014-07-08 | cif/ Adding structures of 4083903, 4083904, 4083905, 4083906, 4083907 via cif-deposit CGI script. |
4083904.cif |
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Users of the data should acknowledge the original authors of the
structural data.