Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8103162
Preview
| Coordinates | 8103162.cif |
|---|
| Formula | C27 H27 Cl2 N9 Zn |
|---|---|
| Calculated formula | C27 H27 Cl2 N9 Zn |
| SMILES | [Zn]([n]1c(cc(c2ccccc2)[nH]1)N)([n]1c(cc(c2ccccc2)[nH]1)N)([n]1c(cc(c2ccccc2)[nH]1)N)Cl.[Cl-] |
| Title of publication | Crystal structure of chlorido-tris(3-amino-5-phenyl-1H- pyrazole-N2)zinc(II) chloride, [ZnCl(C9H9N3)3]Cl |
| Authors of publication | eljko K. Jacimovic; Sladjana B. Novakovic; Goran A. Bogdanovic; Svetlana Beloševic; Anja Jokic; Vukadin M. Leovac |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 3 |
| Pages of publication | 397 |
| a | 17.522 ± 0.002 Å |
| b | 17.522 ± 0.002 Å |
| c | 18.583 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5705.4 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.0952 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0977 |
| Weighted residual factors for all reflections included in the refinement | 0.1142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
8103162.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. |
8103162.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103162.cif |
| 29153 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 8103162 via cif-deposit CGI script. |
8103162.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.