Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7126977
Preview
Coordinates | 7126977.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C118 H147 Br12 Cl Hg6 N2 O20 S12 |
---|---|
Calculated formula | C118 H147 Br12 Hg6 N2 O20 S12 |
Title of publication | Metallosupramolecules of pillar[5]-bis-trithiacrown including a mercury(ii) iodide ion-triplet complex. |
Authors of publication | Shin, Mingyeong; Seo, Sujin; Park, In-Hyeok; Lee, Eunji; Habata, Yoichi; Lee, Shim Sung |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2020 |
Journal volume | 56 |
Journal issue | 70 |
Pages of publication | 10135 - 10138 |
a | 15.5878 ± 0.0002 Å |
b | 20.0801 ± 0.0003 Å |
c | 24.7383 ± 0.0004 Å |
α | 90° |
β | 94.682 ± 0.001° |
γ | 90° |
Cell volume | 7717.4 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0673 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.0718 |
Weighted residual factors for all reflections included in the refinement | 0.0763 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7126977.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.