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Information card for entry 7034333
Preview
| Coordinates | 7034333.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H26 N4 O |
|---|---|
| Calculated formula | C18 H26 N4 O |
| SMILES | O=C(N=C1N(C=CN1C(C)(C)C)C(C)(C)C)Nc1ccccc1 |
| Title of publication | Imidazol-2-ylidene-N'-phenylureate ligands in alkali and alkaline earth metal coordination spheres - heterocubane core to polymeric structural motif formation. |
| Authors of publication | Naktode, Kishor; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 16 |
| Pages of publication | 7458 - 7469 |
| a | 9.0491 ± 0.0004 Å |
| b | 12.7601 ± 0.0005 Å |
| c | 16.7496 ± 0.0009 Å |
| α | 90° |
| β | 109.944 ± 0.004° |
| γ | 90° |
| Cell volume | 1818.04 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0784 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1609 |
| Weighted residual factors for all reflections included in the refinement | 0.1735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180049 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/43. |
7034333.cif |
| 138643 | 2015-06-07 | cif/ Updating files of 7034333, 7034334, 7034335, 7034336, 7034337, 7034338, 7034339 Original log message: Adding full bibliography for 7034333--7034339.cif. |
7034333.cif |
| 133751 | 2015-03-10 | cif/ Adding structures of 7034333, 7034334, 7034335, 7034336, 7034337, 7034338, 7034339 via cif-deposit CGI script. |
7034333.cif |
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Users of the data should acknowledge the original authors of the
structural data.