Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2220852
Preview
Coordinates | 2220852.cif |
---|---|
Structure factors | 2220852.hkl |
Original IUCr paper | HTML |
Chemical name | Diazidobis[4,4,5,5-tetramethyl-2-(1,3-thiazol-2-yl)-2-imidazoline-1-oxyl- 3-oxide-κ^2^<i>O</i>,<i>N</i>]manganese(II) |
---|---|
Formula | C20 H28 Mn N12 O4 S2 |
Calculated formula | C20 H28 Mn N12 O4 S2 |
SMILES | c1c[n]2c(C3=N(=O)C(C(C)([N]3=[O][Mn]32([n]2ccsc2C2[N](C(C(C)(C)N=2=O)(C)C)=[O]3)(N=N#N)N=N#N)C)(C)C)s1 |
Title of publication | Diazidobis[4,4,5,5-tetramethyl-2-(1,3-thiazol-2-yl)-2-imidazoline-1-oxyl-3-oxide-κ^2^<i>O</i>,<i>N</i>]manganese(II) |
Authors of publication | Chang, Jiu Li; Gao, Zhi Yong; Jiang, Kai |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 2 |
Pages of publication | m181 |
a | 9.96 ± 0.0018 Å |
b | 12.272 ± 0.002 Å |
c | 11.353 ± 0.002 Å |
α | 90° |
β | 103.714 ± 0.003° |
γ | 90° |
Cell volume | 1348.1 ± 0.4 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0448 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.1035 |
Weighted residual factors for all reflections included in the refinement | 0.1095 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/2220852.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.