Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7713454
Preview
Coordinates | 7713454.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ir(phpyr)2tmd |
---|---|
Formula | C49 H43 Ir N2 O2 |
Calculated formula | C49 H43 Ir N2 O2 |
Title of publication | Unprecedented hetero-coordinated Ir(C^N)2tmd complexes containing both five- and six-membered Ir-(C^N) rings based on phenanthrylpyridine ligands: Syntheses, crystal structures and photophysical properties |
Authors of publication | Liu, Sen; Wang, Mengyun; Hou, Tianjiao; Shen, Xuan |
Journal of publication | Dalton Transactions |
Year of publication | 2023 |
a | 17.417 ± 0.002 Å |
b | 11.2309 ± 0.0014 Å |
c | 20.539 ± 0.004 Å |
α | 90° |
β | 94.769 ± 0.001° |
γ | 90° |
Cell volume | 4003.7 ± 1 Å3 |
Cell temperature | 296.15 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0285 |
Residual factor for significantly intense reflections | 0.0234 |
Weighted residual factors for significantly intense reflections | 0.0544 |
Weighted residual factors for all reflections included in the refinement | 0.0566 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
285190 (current) | 2023-07-13 | cif/ Adding structures of 7713454, 7713455, 7713456, 7713457, 7713458, 7713459 via cif-deposit CGI script. |
7713454.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.