Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2212023
Preview
Coordinates | 2212023.cif |
---|---|
Structure factors | 2212023.hkl |
Original IUCr paper | HTML |
Chemical name | [2-(3,5-Dibromo-2-oxidobenzylamino)-3-phenylpropionato-κ^3^O,N,O'](1,10- phenanthroline-κ^2^N,N')manganese(II) dihydrate |
---|---|
Formula | C28 H25 Br2 Mn N3 O5 |
Calculated formula | C28 H25 Br2 Mn N3 O5 |
SMILES | [Mn]123([NH](C(C(=O)O2)Cc2ccccc2)Cc2c(O3)c(Br)cc(Br)c2)[n]2cccc3c2c2[n]1cccc2cc3.O.O |
Title of publication | [2-(3,5-Dibromo-2-oxidobenzylamino)-3-phenylpropionato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) dihydrate |
Authors of publication | Xia, Jin Hong; Feng, Xiao-Zhen; Jin, Li-Xia; Zhang, Shu-Hua; Zheng, Liu |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 2 |
Pages of publication | m353 - m355 |
a | 11.199 ± 0.003 Å |
b | 18.962 ± 0.002 Å |
c | 26.932 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5719.2 ± 1.8 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1455 |
Residual factor for significantly intense reflections | 0.0625 |
Weighted residual factors for significantly intense reflections | 0.156 |
Weighted residual factors for all reflections included in the refinement | 0.2119 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
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/2212023.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.