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Information card for entry 4022906
Preview
| Coordinates | 4022906.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C266.67 H220 Cl40 I2.67 N5.33 O32 P10.67 |
|---|---|
| Calculated formula | C266.5 H204.233 Cl39.5 I2.66667 N5.33333 O32 P10.6667 |
| Title of publication | Structure of a 4:1:4 Supramolecular Assembly of Neutral TiiiiPO Cavitands and Tetrakis(N-methylpyridinium)porphyrin Iodide |
| Authors of publication | Rita De Zorzi; Béatrice Dubessy; Jean-Christophe Mulatier; Silvano Geremia; Lucio Randaccio; Jean-Pierre Dutasta |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2007 |
| Journal volume | 72 |
| Pages of publication | 4528 - 4531 |
| a | 28.2853 ± 0.0012 Å |
| b | 32.5755 ± 0.0008 Å |
| c | 51.646 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 47587 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.1574 |
| Residual factor for significantly intense reflections | 0.1302 |
| Weighted residual factors for significantly intense reflections | 0.3195 |
| Weighted residual factors for all reflections included in the refinement | 0.3519 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.446 |
| Diffraction radiation wavelength | 0.9 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178408 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/29. |
4022906.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4022906.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4022906.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4022906.cif |
| 430 | 2008-07-18 | Adding CIFs from the J-Org-Chem-2002-2003-2007/ deposition. |
4022906.cif |
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Users of the data should acknowledge the original authors of the
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