Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2206981
Preview
Coordinates | 2206981.cif |
---|---|
Structure factors | 2206981.hkl |
Original IUCr paper | HTML |
Chemical name | di-μ-acetato-κ^4^O:O'-bis[bis(1,10-phenanthroline-κ^2^N,N')manganese(II)] bis(perchlorate) |
---|---|
Formula | C52 H38 Cl2 Mn2 N8 O12 |
Calculated formula | C52 H38 Cl2 Mn2 N8 O12 |
SMILES | c1[n]2[Mn]34([n]5cccc6c5c5[n]3cccc5cc6)([O]=C(O[Mn]35([n]6cccc7c6c6c(ccc[n]36)cc7)([n]3cccc6c3c3[n]5cccc3cc6)[O]=C(O4)C)C)[n]3c4c2c(cc1)ccc4ccc3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
Title of publication | A binuclear manganese(II) complex: di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)] bis(perchlorate) |
Authors of publication | Xueli Niu; Jianmin Dou; Changwen Hu; Dacheng Li; Daqi Wang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 10 |
Pages of publication | m1909 - m1911 |
a | 9.5474 ± 0.0012 Å |
b | 14.1858 ± 0.0018 Å |
c | 18.802 ± 0.002 Å |
α | 90° |
β | 96.224 ± 0.002° |
γ | 90° |
Cell volume | 2531.5 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0529 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.1238 |
Weighted residual factors for all reflections included in the refinement | 0.1321 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
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/2206981.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.