Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7204105
Preview
Coordinates | 7204105.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H14.5 Br4 Cl0.5 Ga S12 |
---|---|
Calculated formula | C8.5 H6 Br2 Cl0.25 Ga0.5 S6 |
Title of publication | Tetrathiapentalene-based organic conductors with 1 ∶ 1 composition |
Authors of publication | Katsuhara, Mao; Aragaki, Masanobu; Kimura, Shinya; Mori, Takehiko; Misaki, Yohji; Tanaka, Kazuyoshi |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 2001 |
Journal volume | 11 |
Journal issue | 9 |
Pages of publication | 2125 |
a | 14.318 ± 0.004 Å |
b | 14.507 ± 0.004 Å |
c | 8.54 ± 0.007 Å |
α | 105.11 ± 0.04° |
β | 93.16 ± 0.04° |
γ | 75.44 ± 0.02° |
Cell volume | 1657.4 ± 1.5 Å3 |
Cell temperature | 293.2 K |
Ambient diffraction temperature | 293.2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1148 |
Residual factor for significantly intense reflections | 0.115 |
Weighted residual factors for all reflections | 0.152 |
Weighted residual factors for all reflections included in the refinement | 0.152 |
Goodness-of-fit parameter for all reflections | 5.993 |
Goodness-of-fit parameter for all reflections included in the refinement | 5.99 |
Diffraction radiation wavelength | 0.7107 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/7204105.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.