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Information card for entry 4320175
Preview
| Coordinates | 4320175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C78 H118 N8 O26 S6 |
|---|---|
| Calculated formula | C78 H118 N8 O26 S6 |
| Title of publication | Anion Binding with Two Polyammonium Macrocycles of Different Dimensionality |
| Authors of publication | Thomas Clifford; Andrew Danby; José M. Llinares; Susan Mason; Nathaniel W. Alcock; Douglas Powell; Juan A. Aguilar; Enrique García-España; Kristin Bowman-James |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 4710 - 4720 |
| a | 13.726 ± 0.002 Å |
| b | 14.99 ± 0.003 Å |
| c | 22.818 ± 0.004 Å |
| α | 79.04 ± 0.02° |
| β | 82.05 ± 0.02° |
| γ | 83.39 ± 0.02° |
| Cell volume | 4545.9 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1807 |
| Residual factor for significantly intense reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.198 |
| Weighted residual factors for all reflections included in the refinement | 0.2388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4320175.cif |
| 179304 | 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 4/32/01. |
4320175.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320175.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320175.cif |
| 17074 | 2011-04-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4320175 via cif-deposit CGI script. |
4320175.cif |
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Users of the data should acknowledge the original authors of the
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