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Information card for entry 4331756
Preview
| Coordinates | 4331756.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis-{η^2^-[1,1,1,3,3,5,5,5-octamethyl-2,4-bis(trimethylsilyl)pentasilane- 2,4-diolato]}-η^1^-bis(pentafluorophenyl)-η^2^-oxo-dititanium |
|---|---|
| Formula | C40 H84 F10 O5 Si14 Ti2 |
| Calculated formula | C40 H84 F10 O5 Si14 Ti2 |
| SMILES | c1(c(c(c(c(c1F)F)F)F)F)[Ti]1(O[Ti]2(c3c(c(c(c(c3F)F)F)F)F)O[Si]([Si](C)(C)[Si](O2)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)O[Si]([Si](C)(C)[Si](O1)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Trisilane-1,3-diolato Complexes of Ti and Zr: Syntheses and X-ray Crystal Structures† |
| Authors of publication | Krempner, C.; Köckerling, M.; Reinke, H.; Weichert, K. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 8 |
| Pages of publication | 3203 - 3211 |
| a | 12.7493 ± 0.0003 Å |
| b | 12.7949 ± 0.0003 Å |
| c | 12.9031 ± 0.0003 Å |
| α | 84.047 ± 0.001° |
| β | 76.721 ± 0.001° |
| γ | 62.455 ± 0.001° |
| Cell volume | 1816.34 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0414 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0878 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179420 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/17. |
4331756.cif |
| 97861 | 2014-01-29 | cif/ Adding structures of 4331752, 4331753, 4331754, 4331755, 4331756 via cif-deposit CGI script. |
4331756.cif |
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