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Information card for entry 4325165
Preview
| Coordinates | 4325165.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H72 Ag6 Cl6 N12 O24 S24 |
|---|---|
| Calculated formula | C60 H72 Ag6 Cl6 N12 O24 S24 |
| SMILES | C1CSC2=[N]1[Ag][N]1CCSC=1SCc1c3CSC4=[N](CCS4)[Ag][N]4CCSC=4SCc4c(CS2)c2c5CSC6=[N](CCS6)[Ag][N]6CCSC=6SCc(c6CSC7=[N](CCS7)[Ag][N]7CCSC=7SCc5c4CSC4=[N](CCS4)[Ag][N]4CCSC=4SCc36)c1CSC1=[N](CCS1)[Ag][N]1CCSC=1SC2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| 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 | 26.8371 ± 0.0017 Å |
| b | 26.8371 ± 0.0017 Å |
| c | 11.2997 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7048 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0691 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.109 |
| Weighted residual factors for all reflections included in the refinement | 0.1185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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. |
4325165.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. |
4325165.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325165.cif |
| 43618 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4325165 via cif-deposit CGI script. |
4325165.cif |
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Users of the data should acknowledge the original authors of the
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