Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7010918
Preview
Coordinates | 7010918.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | dodecakis(μ^3^-Oxo)-hexadecakis(μ^2^-bromoacetato)-tetra-aqua- tetra-manganese(iv)-octa-manganese(iii) tetra-dichloromethane solvate |
---|---|
Formula | C36 H48 Br16 Cl8 Mn12 O48 |
Calculated formula | C36 H40 Br16 Cl8 Mn12 O48 |
Title of publication | Synthesis, X-ray characterization and single molecule magnetic behaviour of [Mn12O12(O2CCH2X)16(H2O)4]·mCH2Cl2·nH2O (1: X = Cl, m = 2, n = 6; 2: X = Br, m = 4, n = 0) |
Authors of publication | An, Jin; Chen, Zhi-Da; Zhang, Xi-Xiang; Raubenheimer, Helgard G.; Esterhuysen, Catharine; Gao, Song; Xu, Guang-Xian |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 22 |
Pages of publication | 3352 |
a | 26.647 ± 0.004 Å |
b | 26.647 ± 0.004 Å |
c | 12.85 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9124 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.1101 |
Residual factor for significantly intense reflections | 0.074 |
Weighted residual factors for significantly intense reflections | 0.1992 |
Weighted residual factors for all reflections included in the refinement | 0.2241 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7010918.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.