Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4511763
Preview
| Coordinates | 4511763.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H2 Cl N16 O4 |
|---|---|
| Calculated formula | C9 H2 Cl N16 O4 |
| Title of publication | Role of Weak Intermolecular Interactions in the Crystal Structure of Tetrakis-furazano[3,4-c:3′,4′-g:3″,4″-k:3‴,4‴-o][1,2,5,6,9,10,13,14]octaazacyclohexadecine and Its Solvates |
| Authors of publication | Suponitsky, Kyrill Yu.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Kozeev, Andrei M.; Sheremetev, Aleksei B. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 9 |
| Pages of publication | 4439 |
| a | 30.418 ± 0.0005 Å |
| b | 7.0834 ± 0.0001 Å |
| c | 16.039 ± 0.0002 Å |
| α | 90° |
| β | 108.686 ± 0.001° |
| γ | 90° |
| Cell volume | 3273.65 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1082 |
| Weighted residual factors for all reflections included in the refinement | 0.1371 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179664 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/17. |
4511763.cif |
| 122867 | 2014-09-06 | cif/ Updating files of 4511762, 4511763, 4511764 Original log message: Adding full bibliography for 4511762--4511764.cif. |
4511763.cif |
| 122190 | 2014-08-19 | cif/ Adding structures of 4511762, 4511763, 4511764 via cif-deposit CGI script. |
4511763.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.