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Information card for entry 7101130
Preview
| Coordinates | 7101130.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H48 N12 O12 S |
|---|---|
| Calculated formula | C35 H48 N12 O12 S |
| Title of publication | Encapsulated sulphates: Insight to binding propensities |
| Authors of publication | Kristin Bowman-James; Md.Alamgir Hossain; Sung Ok Kang; Douglas R. Powell |
| Journal of publication | Chemical Communications |
| Year of publication | 2005 |
| Journal issue | 3 |
| a | 12.402 ± 0.002 Å |
| b | 14.566 ± 0.003 Å |
| c | 22.629 ± 0.005 Å |
| α | 90° |
| β | 97.793 ± 0.004° |
| γ | 90° |
| Cell volume | 4050.1 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1102 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.1606 |
| Weighted residual factors for all reflections included in the refinement | 0.179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.899 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180113 (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 7/10/11. |
7101130.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
7101130.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7101130.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. |
7101130.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7101130.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. |
7101130.cif |
| 231 | 2008-03-04 | Adding CIF files generated from the Chem-Comm-2005-1_5/ input files. |
7101130.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.