Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7704692
Preview
Coordinates | 7704692.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H20 N6 |
---|---|
Calculated formula | C12 H20 N6 |
Title of publication | Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand. |
Authors of publication | Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 28 |
Pages of publication | 9811 - 9819 |
a | 7.9659 ± 0.0012 Å |
b | 10.0866 ± 0.0013 Å |
c | 8.5204 ± 0.0019 Å |
α | 90° |
β | 91.881 ± 0.015° |
γ | 90° |
Cell volume | 684.2 ± 0.2 Å3 |
Cell temperature | 290 ± 1 K |
Ambient diffraction temperature | 290 ± 1 K |
Number of distinct elements | 3 |
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 | 0.0849 |
Residual factor for significantly intense reflections | 0.0765 |
Weighted residual factors for significantly intense reflections | 0.259 |
Weighted residual factors for all reflections included in the refinement | 0.2661 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
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/7704692.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.