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Information card for entry 4066142
Preview
| Coordinates | 4066142.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2 |
|---|---|
| Formula | C46 H76 K2 N2 O5 |
| Calculated formula | C46 H76 K2 N2 O5 |
| SMILES | [K]12([N]3(c4c(cccc4C(C)C)C(C)C)[K]([O]4CCCC4)([O]41CCCC4)([O]1CCCC1)[N]2(C=C3)c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)[O]1CCCC1 |
| Title of publication | Salt Metathesis and Direct Reduction Reactions Leading to Group 3 Metal Complexes with aN,N′-Bis(2,6-diisopropylphenyl)-1,4-diaza-1,3-butadiene Ligand and Their Solid-State Structures |
| Authors of publication | Panda, Tarun K.; Kaneko, Hiroshi; Pal, Kuntal; Tsurugi, Hayato; Mashima, Kazushi |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 11 |
| Pages of publication | 2610 |
| a | 11.332 ± 0.005 Å |
| b | 16.968 ± 0.005 Å |
| c | 24.29 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4671 ± 3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0841 |
| Residual factor for significantly intense reflections | 0.0794 |
| Weighted residual factors for significantly intense reflections | 0.2377 |
| Weighted residual factors for all reflections included in the refinement | 0.2439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4066142.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066142.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066142.cif |
| 33805 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066142, 4066143, 4066144, 4066145, 4066146, 4066147 via cif-deposit CGI script. |
4066142.cif |
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Users of the data should acknowledge the original authors of the
structural data.