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Information card for entry 4121439
Preview
| Coordinates | 4121439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C228 H214 Cu8 F48 N40 O3 P8 |
|---|---|
| Calculated formula | C216 H184 Cu8 F48 N40 P8 |
| Title of publication | Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures. |
| Authors of publication | Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 10 |
| Pages of publication | 3972 - 3980 |
| a | 22.896 ± 0.003 Å |
| b | 22.896 ± 0.003 Å |
| c | 95.642 ± 0.019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 50138 ± 14 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1149 |
| Residual factor for significantly intense reflections | 0.1048 |
| Weighted residual factors for significantly intense reflections | 0.3081 |
| Weighted residual factors for all reflections included in the refinement | 0.3179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192777 (current) | 2017-03-02 | cod/ Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the 'cod-tools' repository (rev. 5000). The correction was mainly focused on removing misspelt versions of the '_symmetry_Int_Tables' and '_space_group_IT_number' data items. |
4121439.cif |
| 179016 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/14. |
4121439.cif |
| 107780 | 2014-03-22 | cif/ Adding structures of 4121434, 4121435, 4121436, 4121437, 4121438, 4121439, 4121440, 4121441 via cif-deposit CGI script. |
4121439.cif |
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Users of the data should acknowledge the original authors of the
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