Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7201091
Preview
| Coordinates | 7201091.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H110 N8 O48 P8 |
|---|---|
| Calculated formula | C36 H68 N8 O48 P8 |
| Title of publication | Size and temperature dependent encapsulation of tetrahedral anions by a protonated cryptand host |
| Authors of publication | Yang, Li-Zi; Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 2375 - 2380 |
| a | 26.684 ± 0.0007 Å |
| b | 12.7451 ± 0.0005 Å |
| c | 21.3537 ± 0.0005 Å |
| α | 90° |
| β | 98.737 ± 0.002° |
| γ | 90° |
| Cell volume | 7177.9 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1076 |
| Residual factor for significantly intense reflections | 0.0728 |
| Weighted residual factors for significantly intense reflections | 0.2017 |
| Weighted residual factors for all reflections included in the refinement | 0.2382 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218501 (current) | 2019-09-18 | cif/7/ Reassigned entries 7215617-7215619 as the duplicates ones since entries 7201089-7201091 contain more information. |
7201091.cif |
| 218500 | 2019-09-18 | cif/7/ Marked entries 7201089-7201091 as duplicates of entries 7215617-7215619. |
7201091.cif |
| 218499 | 2019-09-18 | cif/7/ Updated bibliographic information in entries 7201089-7201091, 7215617-7215619. |
7201091.cif |
| 183987 | 2016-06-27 | cif/7/20/10/ Correcting bibliography for COD entries 7201089 and 720109[01]: bibliography of publication 10.1039/b905296h was given instead of correct one. |
7201091.cif |
| 180341 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/10. |
7201091.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201091.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201091.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
7201091.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201091.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.