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Information card for entry 4505828
Preview
| Coordinates | 4505828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H56 Ag4 Cl4 N8 O16 Si4 |
|---|---|
| Calculated formula | C48 H56 Ag4 Cl4 N8 O16 Si4 |
| SMILES | [Ag]1[n]2cc([Si](c3c[n]([Ag][n]4cc([Si](c5c[n]1ccc5)(C)C)ccc4)ccc3)(C)C)ccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | “Cyclic Tetramer” vs “Dimer of Cyclic Dimer”: Subtle Anion Effects on the Cyclization of AgBF4vs AgClO4with Bis(3-pyridyl)dimethylsilane |
| Authors of publication | Jung, Ok-Sang; Lee, Young-A; Kim, Yun Ju; Hong, Jongki |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2002 |
| Journal volume | 2 |
| Journal issue | 6 |
| Pages of publication | 497 |
| a | 12.5075 ± 0.0002 Å |
| b | 32.3068 ± 0.0007 Å |
| c | 15.6988 ± 0.0003 Å |
| α | 90° |
| β | 101.081 ± 0.0011° |
| γ | 90° |
| Cell volume | 6225.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1124 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.1716 |
| Weighted residual factors for all reflections included in the refinement | 0.2206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4505828.cif |
| 179594 | 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 4/50/58. |
4505828.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4505828.cif |
| 53947 | 2012-04-20 | cif/ Adding structures of 4505827, 4505828 via cif-deposit CGI script. |
4505828.cif |
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Users of the data should acknowledge the original authors of the
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