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Information card for entry 7024717
Preview
| Coordinates | 7024717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H62 N2 Ni O8 |
|---|---|
| Calculated formula | C45 H62 N2 Ni O8 |
| SMILES | [Ni]123[N](=Cc4c(O2)c(cc(c4)C(C)(C)C)C(C)(C)C)c2c([N]3=Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)cc(cc2)C(=O)O.O1CCOCC1.O1CCOCC1 |
| Title of publication | Soluble monometallic salen complexes derived from O-functionalised diamines as metalloligands for the synthesis of heterobimetallic complexes. |
| Authors of publication | Schley, Michael; Fritzsche, Sebastian; Lönnecke, Peter; Hey-Hawkins, Evamarie |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 17 |
| Pages of publication | 4090 - 4106 |
| a | 17.4763 ± 0.001 Å |
| b | 14.9087 ± 0.0013 Å |
| c | 19.1295 ± 0.0011 Å |
| α | 90° |
| β | 115.318 ± 0.006° |
| γ | 90° |
| Cell volume | 4505.4 ± 0.6 Å3 |
| Cell temperature | 208 ± 2 K |
| Ambient diffraction temperature | 208 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1233 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0615 |
| Weighted residual factors for all reflections included in the refinement | 0.071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.563 |
| 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. |
7024717.cif |
| 179952 | 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 7/02/47. |
7024717.cif |
| 92655 | 2014-01-12 | cif/ Adding structures of 7024717, 7024718, 7024719, 7024720, 7024721, 7024722, 7024723, 7024724, 7024725, 7024726, 7024727 via cif-deposit CGI script. |
7024717.cif |
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Users of the data should acknowledge the original authors of the
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