Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4335894
Preview
| Coordinates | 4335894.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Zn(L-tzep)(H2O)2].H2O |
|---|---|
| Chemical name | [Zn(L-tzep)(H2O)2].H2O |
| Formula | C8 H17 N5 O5 Zn |
| Calculated formula | C8 H17 N5 O5 Zn |
| SMILES | [Zn]12(OC(=O)[C@H]3[N]2(CCc2n1nnn2)CCC3)([OH2])[OH2].O |
| Title of publication | Homochiral Zinc(II) Coordination Compounds Based on In-Situ-Generated Chiral Amino Acid-Tetrazole Ligands: Circular Dichroism, Excitation Light-Induced Tunable Photoluminescence, and Energetic Performance |
| Authors of publication | Shuai-Hua Wang; Fa-Kun Zheng; Ming-Jian Zhang; Zhi-Fa Liu; Jun Chen; Yu Xiao; A-Qing Wu; Guo-Cong Guo; Jin-Shun Huang |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 10096 - 10104 |
| a | 22.757 ± 0.005 Å |
| b | 7.6987 ± 0.0015 Å |
| c | 7.2625 ± 0.0015 Å |
| α | 90° |
| β | 90.948 ± 0.003° |
| γ | 90° |
| Cell volume | 1272.2 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0199 |
| Residual factor for significantly intense reflections | 0.0186 |
| Weighted residual factors for significantly intense reflections | 0.0396 |
| Weighted residual factors for all reflections included in the refinement | 0.0399 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179461 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/58. |
4335894.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4335894.cif |
| 101847 | 2014-02-18 | cif/ Adding structures of 4335894 via cif-deposit CGI script. |
4335894.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.