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Information card for entry 4103256
Preview
| Coordinates | 4103256.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H75 Ce Cl N6 O3 Si6 |
|---|---|
| Calculated formula | C42 H75 Ce Cl N6 O3 Si6 |
| SMILES | C1(c2ccc(cc2)OC)=[N]([Si](C)(C)C)[Ce]23(N1[Si](C)(C)C)([N](=C(c1ccc(cc1)OC)N2[Si](C)(C)C)[Si](C)(C)C)[N](=C(c1ccc(cc1)OC)N3[Si](C)(C)C)[Si](C)(C)C.[Cl-] |
| Title of publication | Facile Access to Tetravalent Cerium Compounds: One-Electron Oxidation Using Iodine(III) Reagents |
| Authors of publication | Peter Dröse; Alan R. Crozier; Samira Lashkari; Jochen Gottfriedsen; Steffen Blaurock; Cristian G. Hrib; Cäcilia Maichle-Mössmer; Christoph Schädle; Reiner Anwander; Frank T. Edelmann |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 14046 - 14047 |
| a | 11.153 ± 0.002 Å |
| b | 12.925 ± 0.003 Å |
| c | 19.583 ± 0.004 Å |
| α | 98.76 ± 0.03° |
| β | 90.93 ± 0.03° |
| γ | 104.79 ± 0.03° |
| Cell volume | 2693.1 ± 1.1 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.0397 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0688 |
| Weighted residual factors for all reflections included in the refinement | 0.0704 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.906 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178778 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/32. |
4103256.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103256.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103256.cif |
| 26215 | 2011-09-19 | ../uploads/cif-deposit/cod/cif Adding structures of 4103256 via cif-deposit CGI script. |
4103256.cif |
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