Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4327776
Preview
Coordinates | 4327776.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(perchlorate)) |
---|---|
Formula | C14 H20 Cl2 Fe N24 O8 |
Calculated formula | C14 H20 Cl1.998 Fe N24 O7.992 |
Title of publication | HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block |
Authors of publication | Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 237 - 245 |
a | 10.022 ± 0.003 Å |
b | 10.022 ± 0.003 Å |
c | 8.429 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 733.2 ± 0.4 Å3 |
Cell temperature | 185 ± 2 K |
Ambient diffraction temperature | 185 ± 2 K |
Number of distinct elements | 6 |
Space group number | 147 |
Hermann-Mauguin space group symbol | P -3 |
Hall space group symbol | -P 3 |
Residual factor for all reflections | 0.0636 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.0718 |
Weighted residual factors for all reflections included in the refinement | 0.08 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
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/4327776.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.