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Information card for entry 4106687
Preview
| Coordinates | 4106687.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H42 Cr0 N2 O23 S4 V6 |
|---|---|
| Calculated formula | C16 H42 N2 O23 S4 V6 |
| SMILES | C1C2(C=O3[V]456(=O789%10[V]%11%12(O[V]%139(=O16)(=O(C2)[V]138(O[V]27([O]%12CC3(C[O]2[V]%10([O]%11C3)(O%13)(O1)=O)[NH3+])(=O)O4)=O)=O)(=O)O5)=O)[NH3+].CS(C)=O.CS(C)=O.CS(C)=O.CS(C)=O |
| Title of publication | Inorganic-Organic Hybrid Vesicles with Counterion- and pH-Controlled Fluorescent Properties |
| Authors of publication | Dong Li; Jie Song; Panchao Yin; Silas Simotwo; Andrew J. Bassler; YuYu Aung; James E. Roberts; Kenneth I. Hardcastle; Craig L. Hill; Tianbo Liu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 14010 - 14016 |
| a | 11.905 ± 0.0017 Å |
| b | 14.3684 ± 0.0019 Å |
| c | 11.905 ± 0.0017 Å |
| α | 90° |
| β | 117.48° |
| γ | 90° |
| Cell volume | 1806.7 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1175 |
| Residual factor for significantly intense reflections | 0.0781 |
| Weighted residual factors for significantly intense reflections | 0.169 |
| Weighted residual factors for all reflections included in the refinement | 0.1885 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178812 (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 4/10/66. |
4106687.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106687.cif |
| 53492 | 2012-04-20 | cif/ Adding structures of 4106687 via cif-deposit CGI script. |
4106687.cif |
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Users of the data should acknowledge the original authors of the
structural data.