Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7130759
Preview
Coordinates | 7130759.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H25 Cu N4 |
---|---|
Calculated formula | C29 H25 Cu N4 |
Title of publication | Heteroleptic copper(i) charge-transfer chromophores with panchromatic absorption |
Authors of publication | Kim, Dooyoung; Gray, Thomas G.; Teets, Thomas S. |
Journal of publication | Chemical Communications |
Year of publication | 2022 |
a | 11.999 ± 0.003 Å |
b | 16.823 ± 0.005 Å |
c | 12.04 ± 0.003 Å |
α | 90° |
β | 97.099 ± 0.004° |
γ | 90° |
Cell volume | 2411.8 ± 1.1 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0395 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0797 |
Weighted residual factors for all reflections included in the refinement | 0.0833 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
278130 (current) | 2022-09-24 | cif/ Adding structures of 7130759, 7130760, 7130761, 7130762 via cif-deposit CGI script. |
7130759.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.