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Information card for entry 7017216
Preview
| Coordinates | 7017216.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C188 H166 Cd4 N48 O33 |
|---|---|
| Calculated formula | C188 H166 Cd4 N44.5 O22.5 |
| Title of publication | Structures, host-guest chemistry and mechanism of stepwise self-assembly of M(4)L(6) tetrahedral cage complexes. |
| Authors of publication | Hall, Benjamin R.; Manck, Lauren E.; Tidmarsh, Ian S.; Stephenson, Andrew; Taylor, Brian F.; Blaikie, Emma J.; Griend, Douglas A Vander; Ward, Michael D. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 45 |
| Pages of publication | 12132 - 12145 |
| a | 19.071 ± 0.0005 Å |
| b | 19.3566 ± 0.0005 Å |
| c | 30.2041 ± 0.0008 Å |
| α | 87.179 ± 0.001° |
| β | 88.031 ± 0.001° |
| γ | 64.278 ± 0.001° |
| Cell volume | 10031.8 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1094 |
| Residual factor for significantly intense reflections | 0.0853 |
| Weighted residual factors for significantly intense reflections | 0.2731 |
| Weighted residual factors for all reflections included in the refinement | 0.2962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179876 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/72. |
7017216.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017216.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017216.cif |
| 31273 | 2011-12-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7017213, 7017214, 7017215, 7017216, 7017217, 7017218 via cif-deposit CGI script. |
7017216.cif |
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Users of the data should acknowledge the original authors of the
structural data.