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Information card for entry 4505515
Preview
| Coordinates | 4505515.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H89 Ag4 Cl4 N7 O19 S8 |
|---|---|
| Calculated formula | C57 H89 Ag4 Cl4 N7 O19 S8 |
| SMILES | [Ag]12[S]3Cc4ccc(C[S]([Ag]5[S]6Cc7ccc(C[S]([Ag]8[S]9Cc%10ccc(C[S]([Ag]%11[S]%12Cc%13ccc(C[S]1CC[NH]%11CC%12)cc%13)CC[NH]8CC9)cc%10)CC[NH]5CC6)cc7)CC[NH]2CC3)cc4.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O=CN(C)C.O=CN(C)C.N(C)(C)C=O |
| Title of publication | Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures |
| Authors of publication | Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 3 |
| Pages of publication | 1320 |
| a | 20.8068 ± 0.001 Å |
| b | 18.5339 ± 0.001 Å |
| c | 21.7427 ± 0.0011 Å |
| α | 90° |
| β | 111.607 ± 0.003° |
| γ | 90° |
| Cell volume | 7795.5 ± 0.7 Å3 |
| Cell temperature | 172 ± 2 K |
| Ambient diffraction temperature | 172 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0922 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.0957 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179590 (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 4/50/55. |
4505515.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4505515.cif |
| 51783 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4505510, 4505511, 4505512, 4505513, 4505514, 4505515, 4505516, 4505517, 4505518 via cif-deposit CGI script. |
4505515.cif |
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Users of the data should acknowledge the original authors of the
structural data.