Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019693
Preview
| Coordinates | 2019693.cif |
|---|---|
| Structure factors | 2019693.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[(μ-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')(pentafluorobenzoato-κ<i>O</i>)(μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'</i>)copper(II)]: |
|---|---|
| Formula | C18 H4 Cu F10 N2 O4 |
| Calculated formula | C18 H4 Cu F10 N2 O4 |
| Title of publication | Poly[(μ-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')(pentafluorobenzoato-κ<i>O</i>)(μ-pyrazine-κ^2^<i>N</i>:<i>N</i>')copper(II)]: a coordination polymer linked into a three-dimensional network by intermolecular C—H···F—C interactions |
| Authors of publication | Han, Li-Juan; Kong, Ya-Jie |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 1017 - 1020 |
| a | 4.81 ± 0.0012 Å |
| b | 13.095 ± 0.003 Å |
| c | 15.366 ± 0.004 Å |
| α | 89.784 ± 0.003° |
| β | 89.654 ± 0.003° |
| γ | 86.678 ± 0.003° |
| Cell volume | 966.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0413 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.1015 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019693.cif 2019693.hkl |
| 180864 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/96. |
2019693.cif 2019693.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019693.cif 2019693.hkl |
| 128082 | 2014-12-04 | cif/ Updating files of 2019692, 2019693 Original log message: Adding full bibliography for 2019692--2019693.cif. |
2019693.cif 2019693.hkl |
| 125049 | 2014-10-08 | cif/ hkl/ Adding structures of 2019692, 2019693 via cif-deposit CGI script. |
2019693.cif 2019693.hkl |
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.