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Information card for entry 7003627
Preview
| Coordinates | 7003627.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H21 N3 O6 S3 |
|---|---|
| Calculated formula | C18 H21 N3 O6 S3 |
| Title of publication | Assembly of a trinuclear metallo-capsule from a tripodal tris(β-diketone) derivative and copper(ii) |
| Authors of publication | Bray, David J.; Antonioli, Bianca; Clegg, Jack K.; Gloe, Karsten; Gloe, Kerstin; Jolliffe, Katrina A.; Lindoy, Leonard F.; Wei, Gang; Wenzel, Marco |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 13 |
| Pages of publication | 1683 - 1685 |
| a | 7.0789 ± 0.0004 Å |
| b | 9.747 ± 0.0007 Å |
| c | 16.236 ± 0.0011 Å |
| α | 101.357 ± 0.003° |
| β | 99.921 ± 0.003° |
| γ | 94.398 ± 0.003° |
| Cell volume | 1074.77 ± 0.12 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 | 0.0636 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7003627.cif |
| 179740 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/36. |
7003627.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003627.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003627.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003627.cif |
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Users of the data should acknowledge the original authors of the
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