Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7049562
Preview
Coordinates | 7049562.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60.76 H57.03 F18 Fe2 N8 O4.76 P3 |
---|---|
Calculated formula | C60.758 H57.032 F18 Fe2 N8 O4.758 P3 |
Title of publication | Aerobic oxygenation catalyzed by first row transition metal complexes coordinated by tetradentate mono-carbon bridged bis-phenanthroline ligands: intra- versus intermolecular carbon-hydrogen bond activation. |
Authors of publication | Shen, Kaiji; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Carmieli, Raanan; Neumann, Ronny |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 19 |
Pages of publication | 6396 - 6407 |
a | 9.6742 ± 0.0019 Å |
b | 13.311 ± 0.003 Å |
c | 13.419 ± 0.003 Å |
α | 67.9 ± 0.03° |
β | 78.59 ± 0.03° |
γ | 89.36 ± 0.03° |
Cell volume | 1565.6 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0435 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.1233 |
Weighted residual factors for all reflections included in the refinement | 0.124 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7049562.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.