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Information card for entry 4501188
Preview
| Coordinates | 4501188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H28 Cl F6 I4 S8 |
|---|---|
| Calculated formula | C64 H28 Cl F6 I4 S8 |
| SMILES | c1(C#Cc2c(F)c(c3c(c(c(F)c(c3F)C#Cc3ccc(cc3)C#CI)C#Cc3ccc(cc3)C#CI)F)c(c(c2F)C#Cc2ccc(cc2)C#CI)F)ccc(cc1)C#CI.C12=C(SC(S1)=C1SC3=C(S1)SCCCS3)SCCCS2.[Cl-] |
| Title of publication | Halogen-Bonded, Eight-fold PtS-Type Interpenetrated Supramolecular Network. A Study toward Redundant and Cross-Bar Supramolecular Nanowire Crystal |
| Authors of publication | Lieffrig, Julien; Yamamoto, Hiroshi M.; Kusamoto, Tetsuro; Cui, Henbo; Jeannin, Olivier; Fourmigué, Marc; Kato, Reizo |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 10 |
| Pages of publication | 4267 |
| a | 11.81 ± 0.002 Å |
| b | 16.572 ± 0.003 Å |
| c | 33.961 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6647 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 72 |
| Hermann-Mauguin space group symbol | I b a m |
| Hall space group symbol | -I 2 2c |
| Residual factor for all reflections | 0.1846 |
| Residual factor for significantly intense reflections | 0.0787 |
| Weighted residual factors for significantly intense reflections | 0.2064 |
| Weighted residual factors for all reflections included in the refinement | 0.2674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.893 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179542 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/11. |
4501188.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501188.cif |
| 34796 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4501187, 4501188 via cif-deposit CGI script. |
4501188.cif |
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Users of the data should acknowledge the original authors of the
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