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Information card for entry 7024726
Preview
| Coordinates | 7024726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C89 H134 B2 Cr La N18 O4 |
|---|---|
| Calculated formula | C77 H106 B2 Cr La N18 O4 |
| SMILES | [La]12345([O]=C(O1)c1ccc6[N]7[Cr]8(Oc9c(cc(cc9C(C)(C)C)C(C)(C)C)C=[N]8c6c1)(Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C=7)([n]1[nH]c(cc1C)C)[n]1[nH]c(cc1C)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 |
| 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 | 16.8338 ± 0.0011 Å |
| b | 17.3435 ± 0.0011 Å |
| c | 20.1484 ± 0.0013 Å |
| α | 68.716 ± 0.001° |
| β | 66.965 ± 0.001° |
| γ | 67.794 ± 0.001° |
| Cell volume | 4849.6 ± 0.5 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0941 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.1403 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179952 (current) | 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. |
7024726.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. |
7024726.cif |
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