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Information card for entry 7021135
Preview
| Coordinates | 7021135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H56 Br4 N8 O6 |
|---|---|
| Calculated formula | C36 H56 Br4 N8 O6 |
| SMILES | c1n2cc[n+]1Cn1c[n+](cc1)Cc1ccccc1Cn1c[n+](cc1)C[n+]1cn(cc1)Cc1ccccc1C2.OC.OC.OC.[Br-].[Br-].OC.OC.OC.[Br-].[Br-] |
| Title of publication | Synthesis of polynuclear Ag(i) and Au(i) complexes from macrocyclic tetraimidazolium salts. |
| Authors of publication | Schulte To Brinke, Christian; Pape, Tania; Hahn, F. Ekkehardt |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 20 |
| Pages of publication | 7330 - 7337 |
| a | 13.002 ± 0.0004 Å |
| b | 19.5502 ± 0.0006 Å |
| c | 9.0187 ± 0.0003 Å |
| α | 90° |
| β | 107.397 ± 0.002° |
| γ | 90° |
| Cell volume | 2187.61 ± 0.12 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0512 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1204 |
| Weighted residual factors for all reflections included in the refinement | 0.1247 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7021135.cif |
| 179916 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/11. |
7021135.cif |
| 86041 | 2013-05-09 | cif/ Adding structures of 7021135, 7021136, 7021137, 7021138, 7021139, 7021140 via cif-deposit CGI script. |
7021135.cif |
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Users of the data should acknowledge the original authors of the
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