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Information card for entry 7026362
Preview
| Coordinates | 7026362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C112 H122 Li4 N4 O41 Ti2 |
|---|---|
| Calculated formula | C112 H122 Li4 N4 O41 Ti2 |
| SMILES | [Li]123[O]4[Ti]567(Oc8c4c(ccc8)C(=[O]1)OCc1cc(OC)cc(OC)c1)[O]1[Li]4([O]=C(c8c1c(O5)ccc8)OCc1cc(OC)cc(OC)c1)[O]1[Ti]58([O]2c2c(O5)cccc2C(=[O]3)OCc2cc(OC)cc(OC)c2)(Oc2c1c(ccc2)C(=[O]4)OCc1cc(OC)cc(OC)c1)[O]1[Li]2([O]6c3c(O7)cccc3C(=[O]2)OCc2cc(OC)cc(OC)c2)[O]=C(c2c1c(O8)ccc2)OCc1cc(OC)cc(OC)c1.[Li]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.CCOCC |
| Title of publication | Hierarchical self-assembly of metallo-dendrimers. |
| Authors of publication | Albrecht, Markus; Baumert, Miriam; Winkler, Henrick D. F.; Schalley, Christoph A.; Fröhlich, Roland |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 31 |
| Pages of publication | 7220 - 7222 |
| a | 12.7987 ± 0.0007 Å |
| b | 16.9382 ± 0.0007 Å |
| c | 27.3122 ± 0.001 Å |
| α | 101.847 ± 0.002° |
| β | 100.37 ± 0.002° |
| γ | 96.316 ± 0.004° |
| Cell volume | 5633.3 ± 0.4 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1019 |
| Residual factor for significantly intense reflections | 0.081 |
| Weighted residual factors for significantly intense reflections | 0.2173 |
| Weighted residual factors for all reflections included in the refinement | 0.2397 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179969 (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 7/02/63. |
7026362.cif |
| 93475 | 2014-01-13 | cif/ Adding structures of 7026362 via cif-deposit CGI script. |
7026362.cif |
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Users of the data should acknowledge the original authors of the
structural data.