Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7032033
Preview
Coordinates | 7032033.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | bis(m2-Cyano)-diaqua-tricyano-nitrosyl-bis(N,N'-(1,2-benzene)- bis(salicylideneiminato)-N,N',O,O')-tri-iron(ii,iii)) methanole solvate |
---|---|
Formula | C47 H40 Fe3 N10 O9 |
Calculated formula | C47 H40 Fe3 N10 O9 |
Title of publication | Towards a better understanding of magnetic exchange mediated by hydrogen bonds in Mn(iii)/Fe(iii) salen-type supramolecular dimers. |
Authors of publication | Nemec, Ivan; Herchel, Radovan; Silha, Tomáš; Trávníček, Zdeněk |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 41 |
Pages of publication | 15602 - 15616 |
a | 10.8773 ± 0.0004 Å |
b | 11.0243 ± 0.0004 Å |
c | 11.6197 ± 0.0004 Å |
α | 99.96 ± 0.003° |
β | 116.96 ± 0.004° |
γ | 105.062 ± 0.003° |
Cell volume | 1128.77 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0415 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.0912 |
Weighted residual factors for all reflections included in the refinement | 0.0928 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
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/7032033.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.