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Information card for entry 4325163
Preview
| Coordinates | 4325163.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H36 N6 S12 |
|---|---|
| Calculated formula | C30 H36 N6 S12 |
| SMILES | C1CN=C(S1)SCc1c(CSC2=NCCS2)c(c(CSC2=NCCS2)c(c1CSC1=NCCS1)CSC1=NCCS1)CSC1=NCCS1 |
| Title of publication | Mercaptothiazolinyl Functionalized Hexapodal and Tripodal Receptors on Benzene Platform: Formation of Silver Ion Assisted Hexanuclear Metallocage vs Metal-Organic Polymer |
| Authors of publication | B. Nisar Ahamed; M. Arunachalam; Pradyut Ghosh |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 4772 - 4780 |
| a | 9.524 ± 0.004 Å |
| b | 10.24 ± 0.004 Å |
| c | 10.575 ± 0.004 Å |
| α | 71.163 ± 0.009° |
| β | 77.511 ± 0.009° |
| γ | 84.535 ± 0.009° |
| Cell volume | 952.6 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0576 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.0995 |
| Weighted residual factors for all reflections included in the refinement | 0.1054 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4325163.cif |
| 179354 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/51. |
4325163.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325163.cif |
| 43616 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4325163 via cif-deposit CGI script. |
4325163.cif |
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Users of the data should acknowledge the original authors of the
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