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Information card for entry 7026937
Preview
| Coordinates | 7026937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 5.1 |
|---|---|
| Formula | C33 H51 N3 O12 |
| Calculated formula | C33 H51 N3 O12 |
| SMILES | O(C)c1c(/C=N/C2CC(CC(C2)/N=C/c2c(cccc2OC)OC)/N=C/c2c(cccc2OC)OC)c(ccc1)OC.O.O.O.O.O.O |
| Title of publication | Cu(I) complexes based on cis, cis-1,3,5-tris(arylideneamino)cyclohexane ligands: synthesis, structure and CO binding. |
| Authors of publication | Ebrahimpour, Parisa; Cushion, Michael; Haddow, Mairi F.; Hallett, Andrew J.; Wass, Duncan F. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 45 |
| Pages of publication | 10910 - 10919 |
| a | 21.47 ± 0.0007 Å |
| b | 21.47 ± 0.0007 Å |
| c | 13.9509 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5569.3 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0868 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.1552 |
| Weighted residual factors for all reflections included in the refinement | 0.1769 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7026937.cif |
| 179975 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/69. |
7026937.cif |
| 93650 | 2014-01-13 | cif/ Adding structures of 7026937, 7026938, 7026939, 7026940, 7026941, 7026942, 7026943, 7026944, 7026945, 7026946 via cif-deposit CGI script. |
7026937.cif |
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Users of the data should acknowledge the original authors of the
structural data.