Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4114419
Preview
Coordinates | 4114419.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H16 N2 O2 S2 Zn |
---|---|
Calculated formula | C26 H16 N2 O2 S2 Zn |
Title of publication | Structures, Electronic States, and Electroluminescent Properties of a Zinc(II) 2-(2-Hydroxyphenyl)benzothiazolate Complex |
Authors of publication | Gui Yu; Shiwei Yin; Yunqi Liu; Zhigang Shuai; Daoben Zhu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 14816 - 14824 |
a | 9.489 ± 0.0019 Å |
b | 9.5687 ± 0.0019 Å |
c | 11.685 ± 0.002 Å |
α | 84.38 ± 0.03° |
β | 78.94 ± 0.03° |
γ | 83.32 ± 0.03° |
Cell volume | 1031.1 ± 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 | 0.0635 |
Residual factor for significantly intense reflections | 0.0566 |
Weighted residual factors for significantly intense reflections | 0.1452 |
Weighted residual factors for all reflections included in the refinement | 0.1491 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178915 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/44. |
4114419.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114419.cif |
67740 | 2012-10-03 | cif/ Adding structures of 4114419 via cif-deposit CGI script. |
4114419.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.