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Information card for entry 7024724
Preview
| Coordinates | 7024724.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C69 H103 B2 La N14 Ni O4 |
|---|---|
| Calculated formula | C69 H103 B2 La N14 Ni O4 |
| SMILES | [La]12345([O]=C(O1)C1[N]6[Ni]7(Oc8c(cc(cc8C=[N]7C1)C(C)(C)C)C(C)(C)C)Oc1c(cc(cc1C=6)C(C)(C)C)C(C)(C)C)([n]1n(c(cc1C)C)[BH](n1[n]2c(cc1C)C)n1[n]3c(cc1C)C)[n]1n(c(cc1C)C)[BH](n1[n]4c(cc1C)C)n1[n]5c(cc1C)C.CCCCCC |
| 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 | 17.654 ± 0.004 Å |
| b | 17.236 ± 0.004 Å |
| c | 23.787 ± 0.006 Å |
| α | 90° |
| β | 96.492 ± 0.004° |
| γ | 90° |
| Cell volume | 7192 ± 3 Å3 |
| Cell temperature | 210 ± 2 K |
| Ambient diffraction temperature | 210 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1093 |
| Residual factor for significantly intense reflections | 0.0692 |
| Weighted residual factors for significantly intense reflections | 0.1235 |
| Weighted residual factors for all reflections included in the refinement | 0.1362 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| 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. |
7024724.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. |
7024724.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. |
7024724.cif |
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Users of the data should acknowledge the original authors of the
structural data.