Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8102316
Preview
| Coordinates | 8102316.cif |
|---|
| Formula | C20 H14 Br N2 O4 |
|---|---|
| Calculated formula | C20 H14 Br N2 O4 |
| Title of publication | Crystal structure of 1,2-bis(4-pyridyl)ethylene - 2-bromo-1,4-benzenedicarboxylic acid (1:1), C12H10N2 · C8H4O4Br |
| Authors of publication | Feng-Xia Yang; Xiao-Dong Li; Guang-Ri Xu; Chen Qian |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2008 |
| Journal volume | 223 |
| Journal issue | 3 |
| Pages of publication | 297 |
| a | 7.0531 ± 0.0017 Å |
| b | 9.941 ± 0.002 Å |
| c | 13.858 ± 0.003 Å |
| α | 91.705 ± 0.003° |
| β | 100.577 ± 0.003° |
| γ | 109.154 ± 0.003° |
| Cell volume | 898 ± 0.3 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.0851 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1358 |
| Weighted residual factors for all reflections included in the refinement | 0.1563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102316.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102316.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102316.cif |
| 13055 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102316 via cif-deposit CGI script. |
8102316.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.