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Information card for entry 7118066
Preview
| Coordinates | 7118066.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C132 H234 F18 N8 Na O18 Sb3 Si2 U2 |
|---|---|
| Calculated formula | C132 H234 F18 N8 Na O18 Sb3 Si2 U2 |
| SMILES | C1C[N]23[U]456([N]1(Cc1c(c(C(C)(C)C)cc(c1)C(C)(C)C)O4)CC[N]5(CC2)Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O6)(=N[Si](C)(C)C)Oc1c(C3)cc(cc1C(C)(C)C)C(C)(C)C.[N]123[U]456(=N[Si](C)(C)C)(Oc7c(C2)cc(cc7C(C)(C)C)C(C)(C)C)[N](CC1)(CC[N]4(CC3)Cc1c(O6)c(cc(c1)C(C)(C)C)C(C)(C)C)Cc1c(O5)c(cc(c1)C(C)(C)C)C(C)(C)C.[F-][Sb](F)(F)(F)(F)F.[Na]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C.O(C)CCOC.COCCOC.COCCOC.[Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)(F)(F)[F-] |
| Title of publication | Charge control of the inverse trans-influence |
| Authors of publication | Henry S. La Pierre; Michael Rosenzweig; Boris Kosog; Christina Hauser; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 16671 |
| a | 14.9276 ± 0.0014 Å |
| b | 14.9276 ± 0.0014 Å |
| c | 63.398 ± 0.011 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 12234 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0679 |
| Weighted residual factors for all reflections included in the refinement | 0.0734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7118066.cif |
| 170362 | 2015-11-17 | cif/ Adding structures of 7118064, 7118065, 7118066 via cif-deposit CGI script. |
7118066.cif |
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Users of the data should acknowledge the original authors of the
structural data.