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Information card for entry 4106258
Preview
| Coordinates | 4106258.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C203 H102 B8 Cl6 F144 N8 O20 Sr4 |
|---|---|
| Calculated formula | C203 H102 B8 Cl6 F144 N8 O20 Sr4 |
| SMILES | [Sr]123456[N]7(CC[O]1CC[O]2CC[O]3CC[O]4CC7)CC(C(F)(F)F)(C(F)(F)F)[O]6[Sr]12346[O]5C(C[N]45CC[O]6CC[O]1CC[O]2CC[O]3CC5)(C(F)(F)F)C(F)(F)F.[NH2]([B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[NH2]([B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity |
| Authors of publication | Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 9069 - 9087 |
| a | 17.2065 ± 0.0007 Å |
| b | 34.2358 ± 0.0011 Å |
| c | 39.9013 ± 0.0013 Å |
| α | 90° |
| β | 94.874 ± 0.001° |
| γ | 90° |
| Cell volume | 23420 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.1117 |
| Residual factor for significantly intense reflections | 0.0808 |
| Weighted residual factors for significantly intense reflections | 0.2061 |
| Weighted residual factors for all reflections included in the refinement | 0.2207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178808 (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 4/10/62. |
4106258.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106258.cif |
| 53056 | 2012-04-17 | cif/ Adding structures of 4106258 via cif-deposit CGI script. |
4106258.cif |
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Users of the data should acknowledge the original authors of the
structural data.