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Information card for entry 4000730
Preview
| Coordinates | 4000730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H60 Ag6 F18 N24 O24 S6 |
|---|---|
| Calculated formula | C90 H60 Ag6 F18 N24 O24 S6 |
| SMILES | O=S(=O)(C(F)(F)F)O[Ag]123[n]4ccccc4c4c5c6cccc[n]6[Ag]67([n]5c5c8[n]4[Ag]49([n]%10c(c%11[n]1c1c%12[n]2c(c2[n]3cccc2)c([n]2c%12c3c%12c1[n]1c%11c%11cccc[n]%11[Ag]%111([n]%12c1c%12[n]3[Ag]2(OS(=O)(=O)C(F)(F)F)([n]2ccccc2c2[n]7c5c3c5c8[n]4c(c4[n]9cccc4)c(c4[n]%11cccc4)[n]5[Ag]4([n]5c1cccc5)([n]3c2c1[n]4cccc1)OS(=O)(C(F)(F)F)=O)[n]1c%12cccc1)OS(=O)(C(F)(F)F)=O)c1cccc[n]61)cccc%10)OS(=O)(C(F)(F)F)=O)OS(=O)(C(F)(F)F)=O.O.O.O.O.O.O |
| Title of publication | Tunable Coordinative Assembly of a Disc-Like Molecule and Metal Ions: From Mirospheres to Microtubes and Microrods |
| Authors of publication | Xiao, Ze-Yun; Zhao, Xin; Jiang, Xi-Kui; Li, Zhan-Ting |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2011 |
| Journal volume | 23 |
| Journal issue | 6 |
| Pages of publication | 1505 |
| a | 30.319 ± 0.002 Å |
| b | 30.319 ± 0.002 Å |
| c | 10.119 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 8055.6 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.051 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0786 |
| Weighted residual factors for all reflections included in the refinement | 0.0926 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.899 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4000730.cif |
| 114054 | 2014-05-21 | cif/ Updating files of 4000730 Original log message: Adding full bibliography for 4000730.cif. |
4000730.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4000730.cif |
| 34922 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4000730 via cif-deposit CGI script. |
4000730.cif |
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Users of the data should acknowledge the original authors of the
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