Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7101286
Preview
| Coordinates | 7101286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | C-pentylpyrogallol(4)arene gallium acetone adduct |
|---|---|
| Chemical name | C-pentylpyrogallol[4]arene gallium acetone adduct |
| Formula | C341.33 H403.33 Ga12 O137 |
| Calculated formula | C341.34 H403.34 Ga12 O137 |
| Title of publication | Hexameric C-alkylpyrogallol[4]arene Molecular Capsules Sustained by Metal-ion Coordination and Hydrogen Bonds |
| Authors of publication | Robert M. McKinaly; Praveen K. Thallapally; J. L. Atwood |
| Journal of publication | Chemical Communications |
| Year of publication | 2006 |
| Journal issue | 28 |
| a | 26.332 ± 0.005 Å |
| b | 28.646 ± 0.005 Å |
| c | 29.686 ± 0.005 Å |
| α | 90° |
| β | 104.993 ± 0.003° |
| γ | 90° |
| Cell volume | 21630 ± 7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1828 |
| Residual factor for significantly intense reflections | 0.1195 |
| Weighted residual factors for significantly intense reflections | 0.3365 |
| Weighted residual factors for all reflections included in the refinement | 0.4081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.445 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180114 (current) | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/12. |
7101286.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7101286.cif |
| 91955 | 2013-12-31 | cod/ (saulius@koala.ibt.lt) Removing '_journal_page_first ?' data items from a bunch of COD CIFs so that the quastion mark does not appear in the COD SQL tables as a page number. |
7101286.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7101286.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. |
7101286.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
7101286.cif |
| 271 | 2008-03-15 | Adding CIF files from the Chem-Comm-2006-20_48/ deposion. |
7101286.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.