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Information card for entry 4065649
Preview
| Coordinates | 4065649.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H31 Cl3 N6 Ni O3 |
|---|---|
| Calculated formula | C28 H31 Cl3 N6 Ni O3 |
| SMILES | [Ni]123N(Cc4ccccc4)C(=O)CN4C=2N(C=C4)CCCN2C=3N(C=C2)CC(=O)N1Cc1ccccc1.C(Cl)(Cl)Cl.O |
| Title of publication | Chiral Variation of a Hybrid Bis(carbene-amido) Ligand System |
| Authors of publication | Jean-Baptiste dit Dominique, François; Gornitzka, Heinz; Hemmert, Catherine |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 13 |
| Pages of publication | 2868 |
| a | 10.5437 ± 0.0002 Å |
| b | 14.9883 ± 0.0003 Å |
| c | 19.1501 ± 0.0004 Å |
| α | 90° |
| β | 100.537 ± 0.001° |
| γ | 90° |
| Cell volume | 2975.3 ± 0.1 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0563 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.1059 |
| Weighted residual factors for all reflections included in the refinement | 0.1156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| 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. |
4065649.cif |
| 178549 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/56. |
4065649.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065649.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065649.cif |
| 33643 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065648, 4065649, 4065650, 4065651 via cif-deposit CGI script. |
4065649.cif |
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Users of the data should acknowledge the original authors of the
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