Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7700561
Preview
Coordinates | 7700561.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | BPY[Au(dmit)2]2 |
---|---|
Formula | C24 H12 Au2 N2 S20 |
Calculated formula | C24 H12 Au2 N2 S20 |
Title of publication | A molecular crystal with an unprecedentedly long-lived photoexcited state. |
Authors of publication | Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 34 |
Pages of publication | 12858 - 12866 |
a | 11.1908 ± 0.0017 Å |
b | 14.265 ± 0.002 Å |
c | 23.468 ± 0.004 Å |
α | 90° |
β | 101.148 ± 0.004° |
γ | 90° |
Cell volume | 3675.7 ± 1 Å3 |
Cell temperature | 50 K |
Ambient diffraction temperature | 50 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0346 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0784 |
Weighted residual factors for all reflections included in the refinement | 0.0799 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
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/7700561.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.