Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7710319
Preview
Coordinates | 7710319.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H52 Br4 Fe2 N12 S4 |
---|---|
Calculated formula | C76 H52 Br4 Fe2 N12 S4 |
Title of publication | High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents. |
Authors of publication | Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2022 |
Journal volume | 51 |
Journal issue | 24 |
Pages of publication | 9302 - 9313 |
a | 17.739 ± 0.0004 Å |
b | 17.739 ± 0.0004 Å |
c | 12.1851 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3834.31 ± 0.18 Å3 |
Cell temperature | 299 ± 2 K |
Ambient diffraction temperature | 298.15 K |
Number of distinct elements | 6 |
Space group number | 92 |
Hermann-Mauguin space group symbol | P 41 21 2 |
Hall space group symbol | P 4abw 2nw |
Residual factor for all reflections | 0.0596 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.0777 |
Weighted residual factors for all reflections included in the refinement | 0.0821 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/7710319.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.