Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4343430
Preview
Coordinates | 4343430.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H28 Mn2 N4 O18 P4 |
---|---|
Calculated formula | C20 H28 Mn2 N4 O18 P4 |
SMILES | c1cccc2c3[n](cccc3)[Mn]34([n]12)([O]=P(OP(=O)(O3)O)(O)O[Mn]12([n]3ccccc3c3cccc[n]13)([O]=P(O)(O4)OP(=O)(O2)O)[OH2])[OH2].O.O |
Title of publication | Ferromagnetic Coupling in "Double-Bridged" Dihydrogenpyrophosphate Complexes of Cobalt(II) and Nickel(II). |
Authors of publication | Greenfield, Tiffany J.; Hoffman, Amanda E.; Marino, Nadia; Goos, Alan G.; Lloret, Francesc; Julve, Miguel; Doyle, Robert P. |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 13 |
Pages of publication | 6537 - 6546 |
a | 8.065 ± 0.002 Å |
b | 9.77 ± 0.003 Å |
c | 10.97 ± 0.003 Å |
α | 84.004 ± 0.006° |
β | 78.651 ± 0.005° |
γ | 66.716 ± 0.006° |
Cell volume | 778.1 ± 0.4 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0466 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.1236 |
Weighted residual factors for all reflections included in the refinement | 0.1336 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
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/4343430.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.