Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7224001
Preview
Coordinates | 7224001.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C94 H90 Mn8 N8 O28 |
---|---|
Calculated formula | C94 H90 Mn8 N8 O28 |
SMILES | C1(c2ccccc2)=[O][Mn]234(OC(=[O][Mn]5678[O]9Cn%10[n](c(C)cc%10C)[Mn]%10%11([O]=C(O[Mn]%12%139([n]9n(c(cc9C)C)C[O]%10%12[Mn]9%10([O]5%13[Mn]5%127([O]=C(O%10)c7ccccc7)[O]7Cn%10[n](c(C)cc%10C)[Mn]%10([O]=C(O[Mn]%137([n]7n(c(cc7C)C)C[O]2%10%13)([O]=C(c2ccccc2)O9)[O]385)c2ccccc2)(OC(=O)c2ccccc2)[O]4C(c2ccccc2)=[O]%12)([O]%11C(c2ccccc2)=[O]6)[OH2])O1)c1ccccc1)OC(=O)c1ccccc1)c1ccccc1)[OH2] |
Title of publication | Structural, electrochemical and magnetic analyses of a new octanuclear MnIII2MnII6cluster with linked-defect cubane topology |
Authors of publication | Yang, Fei; Deng, Yong-Kai; Guo, Ling-Yu; Su, Hai-Feng; Jagličić, Zvonko; Feng, Zhen-Yu; Zhuang, Gui-Lin; Zeng, Su-Yuan; Sun, Di |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 8 |
Pages of publication | 1329 |
a | 14.0134 ± 0.0007 Å |
b | 14.8016 ± 0.0007 Å |
c | 15.2457 ± 0.0006 Å |
α | 105.689 ± 0.005° |
β | 113.922 ± 0.004° |
γ | 103.178 ± 0.005° |
Cell volume | 2570 ± 0.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0935 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.1121 |
Weighted residual factors for all reflections included in the refinement | 0.1249 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.888 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7224001.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.