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Information card for entry 4082782
Preview
| Coordinates | 4082782.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C176 H176 F24 N16 O42 Rh4 S8 Zn2 |
|---|---|
| Calculated formula | C164 H132 F24 N16 O32 Rh4 S8 Zn2 |
| SMILES | c12c3c4c5ccccc5c5O[Rh]6789(Oc(c35)c3ccccc23)([c]2([c]9([c]8([c]7([c]62C)C)C)C)C)[n]2ccc(c3cc5[n]6c(c3)c3[n](cccc3)[Zn]376([n]6ccccc6c6[n]3c(cc(c6)c3cc[n](cc3)[Rh]3689%10(Oc%11c%12c(c%13ccccc%13c%13O[Rh]%14%15%16%17(Oc(c%12%13)c%12ccccc%11%12)([n]%11ccc(c%12cc%13[n]%18c(c%12)c%12[n](cccc%12)[Zn]%12%19%18([n]%18ccccc%18c%18[n]%12c(cc(c%18)c%12cc[n](cc%12)[Rh]%12%18%20%21(O1)(O4)[c]1([c]%12([c]%18([c]%20([c]%211C)C)C)C)C)c1[n]%19cccc1)[n]1ccccc%131)cc%11)[c]1([c]%17([c]%16([c]%15([c]%141C)C)C)C)C)O3)[c]1([c]6([c]8([c]9([c]%101C)C)C)C)C)c1[n]7cccc1)[n]1ccccc51)cc2.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].[O-]S(=O)(=O)C(F)(F)F.S(=O)(=O)(C(F)(F)F)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].S(=O)(=O)(C(F)(F)F)[O-] |
| Title of publication | Box-like Heterometallic Macrocycles Derived from Bis-Terpyridine Metalloligands |
| Authors of publication | Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 5 |
| Pages of publication | 1283 |
| a | 16.1642 ± 0.0018 Å |
| b | 29.018 ± 0.003 Å |
| c | 20.852 ± 0.002 Å |
| α | 90° |
| β | 102.507 ± 0.002° |
| γ | 90° |
| Cell volume | 9548.6 ± 1.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.1238 |
| Residual factor for significantly intense reflections | 0.1131 |
| Weighted residual factors for significantly intense reflections | 0.2823 |
| Weighted residual factors for all reflections included in the refinement | 0.2889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178716 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/27. |
4082782.cif |
| 108255 | 2014-03-29 | cif/ Adding structures of 4082780, 4082781, 4082782, 4082783, 4082784, 4082785, 4082786, 4082787 via cif-deposit CGI script. |
4082782.cif |
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Users of the data should acknowledge the original authors of the
structural data.