Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4123742
Preview
| Coordinates | 4123742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14 N2 O4 Zn |
|---|---|
| Calculated formula | C18 H14 N2 O4 Zn |
| Title of publication | Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material. |
| Authors of publication | Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 29 |
| Pages of publication | 9296 - 9301 |
| a | 26.423 ± 0.003 Å |
| b | 26.423 ± 0.003 Å |
| c | 5.0845 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3549.9 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Cell measurement pressure | 460000 kPa |
| Number of distinct elements | 5 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.1333 |
| Residual factor for significantly intense reflections | 0.0732 |
| Weighted residual factors for significantly intense reflections | 0.1739 |
| Weighted residual factors for all reflections included in the refinement | 0.2129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4123742.cif |
| 152849 | 2015-08-05 | cif/ Updating files of 4123717, 4123718, 4123719, 4123720, 4123721, 4123722, 4123723, 4123724, 4123725, 4123726, 4123727, 4123728, 4123729, 4123730, 4123731, 4123732, 4123733, 4123734, 4123735, 4123736, 4123737, 4123738, 4123739, 4123740, 4123741, 4123742, 4123743, 4123744 Original log message: Adding full bibliography for 4123717--4123744.cif. |
4123742.cif |
| 137387 | 2015-05-27 | cif/ Adding structures of 4123740, 4123741, 4123742, 4123743, 4123744 via cif-deposit CGI script. |
4123742.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.