Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2230700
Preview
Coordinates | 2230700.cif |
---|---|
Structure factors | 2230700.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]- μ-pyridine-2,3-dicarboxylato- κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^,<i>O</i>^3^] monohydrate] |
---|---|
Formula | C19 H13 N3 O5 Zn |
Calculated formula | C19 H13 N3 O5 Zn |
SMILES | [Zn]123(OC(=O)c4[n]2cccc4C(=O)[O-])([n]2cccc4ccc5ccc[n]1c5c24)[O]=C1O[Zn]2([n]4cccc5ccc6ccc[n]2c6c45)[n]2c1c(ccc2)C(=O)O3.O.O |
Title of publication | <i>catena</i>-Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-pyridine-2,3-dicarboxylato-κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^,<i>O</i>^3^] monohydrate] |
Authors of publication | Qin, Zhen-Hua; Lou, Shu-Fang; Wang, Na; Wang, Fu-Yu |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 7 |
Pages of publication | m864 |
a | 12.2099 ± 0.0008 Å |
b | 11.6922 ± 0.0008 Å |
c | 23.2513 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3319.4 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0637 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for significantly intense reflections | 0.161 |
Weighted residual factors for all reflections included in the refinement | 0.1748 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2230700.html
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.