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Information card for entry 7111355
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| Coordinates | 7111355.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Pd(ii) complex.ether |
|---|---|
| Formula | C100 H88 F16 N6 O10 Pd |
| Calculated formula | C100 H88 F16 N6 O10 Pd |
| SMILES | c1cc2cc[n]1[Pd]1([n]3ccc(cc3)Cc3c(c(c(c(c3F)F)c3cc(ccc3)c3cc(ccc3)c3cc(ccc3)c3c(c(c(c(c3F)F)Cc3cc[n]1cc3)F)F)F)F)[n]1ccc(cc1)Cc1c(c(c(c3cc(c4cc(c5cc(c6c(c(c(C2)c(c6F)F)F)F)ccc5)ccc4)ccc3)c(c1F)F)F)F.N(=O)(=O)[O-].CCOCC.CCOCC.N(=O)(=O)[O-].C(C)OCC.CCOCC |
| Title of publication | A circular tris[2]catenane from molecular ?figure-of-eight?Electronic supplementary information (ESI) available: physical properties of 1 and CSI-MS data for 1, (1)2, and (1)3. See http://www.rsc.org/suppdata/cc/b4/b407108e/ |
| Authors of publication | Hori, Akiko; Yamashita, Ken-ichi; Kusukawa, Takahiro; Akasaka, Akihiko; Biradha, Kumar; Fujita, Makoto |
| Journal of publication | Chemical Communications |
| Year of publication | 2004 |
| Journal issue | 16 |
| Pages of publication | 1798 - 1799 |
| a | 15.485 ± 0.003 Å |
| b | 9.562 ± 0.002 Å |
| c | 30.234 ± 0.006 Å |
| α | 90° |
| β | 104.052 ± 0.004° |
| γ | 90° |
| Cell volume | 4342.7 ± 1.5 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1821 |
| Residual factor for significantly intense reflections | 0.0917 |
| Weighted residual factors for significantly intense reflections | 0.2189 |
| Weighted residual factors for all reflections included in the refinement | 0.27 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180227 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/13. |
7111355.cif |
| 96450 | 2014-01-29 | cif/ Adding structures of 7111355 via cif-deposit CGI script. |
7111355.cif |
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