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Information card for entry 4109018
Preview
| Coordinates | 4109018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound 4b |
|---|---|
| Formula | C57 H26 B2 F30 N Tl |
| Calculated formula | C57 H26 B2 F30 N Tl |
| SMILES | [Tl+].[NH2]([B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1 |
| Title of publication | Thallium(I) Sandwich, Multidecker, and Ether Complexes Stabilized by Weakly-Coordinating Anions: A Spectroscopic, Structural, and Theoretical Investigation |
| Authors of publication | Yann Sarazin; David L. Hughes; Nikolas Kaltsoyannis; Joseph A. Wright; Manfred Bochmann |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 881 - 894 |
| a | 13.781 ± 0.005 Å |
| b | 18.151 ± 0.008 Å |
| c | 21.698 ± 0.014 Å |
| α | 90° |
| β | 91.68 ± 0.05° |
| γ | 90° |
| Cell volume | 5425 ± 5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.071 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212012 (current) | 2018-11-16 | cif/4/10/ Enhancement: adding references to suboptimal entries in entries 4109002, 4109017, 4109018, 4109238. |
4109018.cif |
| 178836 | 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 4/10/90. |
4109018.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109018.cif |
| 57769 | 2012-05-21 | cif/ Adding structures of 4109018 via cif-deposit CGI script. |
4109018.cif |
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