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Information card for entry 4085606
Preview
| Coordinates | 4085606.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 Br N4 |
|---|---|
| Calculated formula | C21 H19 Br N4 |
| SMILES | [Br-].n1(c[n+](cc1)Cc1cnc(cc1)c1ncccc1)Cc1ccccc1 |
| Title of publication | Synthesis, Structures, and Biological Studies of Heterobimetallic Au(I)‒Ru(II) Complexes Involving N-Heterocyclic Carbene-Based Multidentate Ligands |
| Authors of publication | Boselli, Luca; Carraz, Maëlle; Mazères, Serge; Paloque, Lucie; González, Germán; Benoit-Vical, Françoise; Valentin, Alexis; Hemmert, Catherine; Gornitzka, Heinz |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 6 |
| Pages of publication | 1046 |
| a | 14.6992 ± 0.0007 Å |
| b | 26.1928 ± 0.0012 Å |
| c | 9.8918 ± 0.0004 Å |
| α | 90° |
| β | 102.492 ± 0.002° |
| γ | 90° |
| Cell volume | 3718.3 ± 0.3 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0808 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| 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. |
4085606.cif |
| 178745 | 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 4/08/56. |
4085606.cif |
| 134857 | 2015-04-04 | cif/ Updating files of 4085605, 4085606, 4085607, 4085608, 4085609 Original log message: Adding full bibliography for 4085605--4085609.cif. |
4085606.cif |
| 133786 | 2015-03-11 | cif/ Adding structures of 4085605, 4085606, 4085607, 4085608, 4085609 via cif-deposit CGI script. |
4085606.cif |
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Users of the data should acknowledge the original authors of the
structural data.