Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1567442
Preview
Coordinates | 1567442.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H63 Fe N3 |
---|---|
Calculated formula | C41 H63 Fe N3 |
Title of publication | Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization |
Authors of publication | Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi |
Journal of publication | Chemical Science |
Year of publication | 2022 |
Journal volume | 13 |
Journal issue | 33 |
Pages of publication | 9637 - 9643 |
a | 9.6054 ± 0.0003 Å |
b | 19.7203 ± 0.0006 Å |
c | 20.7848 ± 0.0006 Å |
α | 104.662 ± 0.001° |
β | 92.247 ± 0.001° |
γ | 90.183 ± 0.001° |
Cell volume | 3805.6 ± 0.2 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0523 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.1065 |
Weighted residual factors for all reflections included in the refinement | 0.1105 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
277659 (current) | 2022-09-06 | cif/ Updating files of 1567442, 1567443, 1567444, 1567445 Original log message: Adding full bibliography for 1567442--1567445.cif. |
1567442.cif |
277174 | 2022-08-10 | cif/ Adding structures of 1567442, 1567443, 1567444, 1567445 via cif-deposit CGI script. |
1567442.cif |
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.