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Information card for entry 1500046
Preview
| Coordinates | 1500046.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H52 Ag2 F6 N O7 P S4 |
|---|---|
| Calculated formula | C40 H52 Ag2 F6 N O7 P S4 |
| SMILES | [Ag]1([S](Cc2ccccc2)CCOCCOCC[S]1Cc1ccccc1)ON(=[O][Ag]1[S](Cc2ccccc2)CCOCCOCC[S]1Cc1ccccc1)=O.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | S2O2 donor cyclic and acyclic ionophores: Potentiometric sensing for Ag(i) and a new nitrate-bridged dimeric Ag(i) complex of the acyclic ionophore with an unusual structure |
| Authors of publication | Yoon, Il; Lee, Yoon Hee; Lee, Shim Sung; Lee, Sang Cheol; Park, Sung Bae |
| Journal of publication | The Analyst |
| Year of publication | 2001 |
| Journal volume | 126 |
| Journal issue | 10 |
| Pages of publication | 1773 |
| a | 23.8522 ± 0.0015 Å |
| b | 7.531 ± 0.0004 Å |
| c | 14.0178 ± 0.0008 Å |
| α | 90° |
| β | 106.009 ± 0.002° |
| γ | 90° |
| Cell volume | 2420.4 ± 0.2 Å3 |
| Cell temperature | 571 ± 2 K |
| Ambient diffraction temperature | 571 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0383 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.0989 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287927 (current) | 2023-12-01 | cif/ Corrected the misspelt variants of the 'publ_section_references' data name in entries 1500046, 1567513, 1567514, 1567515, 4319983, 7008124, 7239987, 8102447. |
1500046.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1500046.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1500046.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1500046.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
1500046.cif |
| 5267 | 2010-12-22 | ../uploads/cif-deposit/cod/cif Adding structures of 1500046 via cif-deposit CGI script. |
1500046.cif |
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Users of the data should acknowledge the original authors of the
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