Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7047795
Preview
Coordinates | 7047795.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43.2 H30.8 F6 Fe N11.6 O7 S6 |
---|---|
Calculated formula | C43.2 H30.8 F6 Fe N11.6 O7.001 S6 |
Title of publication | A novel bis-1,2,4-benzothiadiazine pincer ligand: synthesis, characterization and first row transition metal complexes. |
Authors of publication | Pringouri, Konstantina; Anwar, Muhammad U.; Mansour, Liz; Doupnik, Nathan; Beldjoudi, Yassine; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 44 |
Pages of publication | 15725 - 15736 |
a | 10.9579 ± 0.0004 Å |
b | 11.0245 ± 0.0004 Å |
c | 22.8045 ± 0.0008 Å |
α | 90° |
β | 103.522 ± 0.0012° |
γ | 90° |
Cell volume | 2678.54 ± 0.17 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 7 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0465 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.118 |
Weighted residual factors for all reflections included in the refinement | 0.12 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
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/7047795.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.