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Information card for entry 4125458
Preview
| Coordinates | 4125458.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H118 F12 N8 O27 Rh4 S4 |
|---|---|
| Calculated formula | C104 H108 F12 N8 O26 Rh4 S4 |
| SMILES | c12c3c4C(=O)N5O[Rh]6789([n]%10ccc(cc%10)/C=C/c%10cc[n](cc%10)[Rh]%10%11%12%13%14([O]=C%15c%16c%17c%18c(cc%16)C%16N(O[Rh]%19%20%21%22([n]%23ccc(cc%23)/C=C/c%23cc[n](cc%23)[Rh]%23%24%25%26%27([O]=C%28c(cc1)c3c(cc4)C(=O)N%28O%23)[c]1([c]%24([c]%25([c]%26([c]%271C)C)C)C)C)([O]=%16)[c]1([c]%19([c]%20([c]%21([c]%221C)C)C)C)C)C(=O)c%18ccc%17C(=O)N%15O%10)[c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)([O]=C25)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].CCOCC.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].CCOCC |
| Title of publication | Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings. |
| Authors of publication | Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 4 |
| Pages of publication | 1653 - 1660 |
| a | 40.736 ± 0.003 Å |
| b | 14.9836 ± 0.0011 Å |
| c | 24.2513 ± 0.0018 Å |
| α | 90° |
| β | 117.182 ± 0.001° |
| γ | 90° |
| Cell volume | 13167.5 ± 1.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0816 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1469 |
| Weighted residual factors for all reflections included in the refinement | 0.1608 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193499 (current) | 2017-03-04 | cif/ Updating files of 4125454, 4125455, 4125456, 4125457, 4125458, 4125459, 4125460, 4125461 Original log message: Adding full bibliography for 4125454--4125461.cif. |
4125458.cif |
| 192527 | 2017-03-01 | cif/ Adding structures of 4125454, 4125455, 4125456, 4125457, 4125458 via cif-deposit CGI script. |
4125458.cif |
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Users of the data should acknowledge the original authors of the
structural data.