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Information card for entry 7206509
Preview
| Coordinates | 7206509.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H67 N9 O16 |
|---|---|
| Calculated formula | C44 H67 N9 O16 |
| Title of publication | Inclusion of unique four-clawed crown-like nitrate–water cluster [(NO3)6(H2O)6]6− anions into the inter-spaces of a 3D H–bonded cationic net formed by a cationic calix[4]arene |
| Authors of publication | Liu, Lei-Lei; Ren, Zhi-Gang; Wan, Li-Min; Ding, Hong-Ye; Lang, Jian-Ping |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 19 |
| Pages of publication | 5718 |
| a | 13.498 ± 0.003 Å |
| b | 13.84 ± 0.003 Å |
| c | 13.99 ± 0.003 Å |
| α | 92.13 ± 0.03° |
| β | 105.5 ± 0.03° |
| γ | 101.33 ± 0.03° |
| Cell volume | 2458.2 ± 1.1 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1181 |
| Residual factor for significantly intense reflections | 0.0716 |
| Weighted residual factors for significantly intense reflections | 0.1772 |
| Weighted residual factors for all reflections included in the refinement | 0.2045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7206509.cif |
| 180396 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/65. |
7206509.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206509.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206509.cif |
| 28002 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7206508, 7206509 via cif-deposit CGI script. |
7206509.cif |
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Users of the data should acknowledge the original authors of the
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