Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7110832
Preview
Coordinates | 7110832.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H54 As2 Mn2 N4 |
---|---|
Calculated formula | C34 H54 As2 Mn2 N4 |
SMILES | [As]12[N]3([As]4[N]5([Mn]6789([N]1([Mn]1%10%11%1235[cH]3[cH]%12[cH]%11[cH]%10[cH]13)C1CCCCC1)([N]24C1CCCCC1)[cH]1[cH]6[cH]7[cH]8[cH]91)C1CCCCC1)C1CCCCC1 |
Title of publication | The paramagnetic, heterometallic manganese cubanes [{E2(NCy)4}(MnCp)2] (Cy = C6H11, Cp = C5H5, E = As, Sb) |
Authors of publication | Bashall, Alan; McPartlin, Mary; Beswick, Michael A.; Kidd, Sara J.; Palmer, Julie S.; Raithby, Paul R.; Rawson, Jeremy M.; Wright, Dominic S.; Ehlenberg, Helmut |
Journal of publication | Chemical Communications |
Year of publication | 2000 |
Journal issue | 9 |
Pages of publication | 749 |
a | 10.336 ± 0.002 Å |
b | 17.095 ± 0.006 Å |
c | 20.506 ± 0.005 Å |
α | 90° |
β | 103.99 ± 0.02° |
γ | 90° |
Cell volume | 3515.8 ± 1.7 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1015 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.117 |
Weighted residual factors for all reflections included in the refinement | 0.1559 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7110832.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.