Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2208771
Preview
Coordinates | 2208771.cif |
---|---|
Structure factors | 2208771.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(2-methylimidazolium) bis(2-methylimidazole-κN)bis(salicylato-κ^2^O,O')manganese(III) bis(methanol-κO)bis(salicylato-κ^2^O,O')manganese(III) methanol disolvate |
---|---|
Formula | C48 H58 Mn2 N8 O16 |
Calculated formula | C48 H58 Mn2 N8 O16 |
SMILES | c12c(cccc1)C(=O)O[Mn]1([n]3cc[nH]c3C)([n]3cc[nH]c3C)(O2)Oc2c(cccc2)C(=O)O1.[nH]1cc[nH+]c1C.OC.[Mn]12(Oc3c(cccc3)C(=O)O1)(Oc1c(cccc1)C(=O)O2)([OH]C)[OH]C.[nH]1cc[nH+]c1C.OC |
Title of publication | Bis(2-methylimidazolium) bis(2-methylimidazole-κ<i>N</i>)bis(salicylato-κ^2^<i>O</i>,<i>O</i>')manganese(III) bis(methanol-κ<i>O</i>)bis(salicylato-κ^2^<i>O</i>,<i>O</i>')manganese(III) methanol disolvate |
Authors of publication | Lu-Tong Yuan; Zuo-Xiang Wang; An-Yu Zhou; Chun-Yi Liu; Xiao-Yong Chou |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 4 |
Pages of publication | m887 - m888 |
a | 9.013 ± 0.003 Å |
b | 9.135 ± 0.003 Å |
c | 16.696 ± 0.005 Å |
α | 75.872 ± 0.005° |
β | 85.269 ± 0.005° |
γ | 77.666 ± 0.005° |
Cell volume | 1301.6 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.082 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.122 |
Weighted residual factors for all reflections included in the refinement | 0.128 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
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/2208771.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.