Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4119240
Preview
Coordinates | 4119240.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | As4 H32 Mn2 N8 S16 |
---|---|
Calculated formula | As4 H32 Mn2 N8 S16 |
SMILES | [NH4+].[NH4+].[NH4+].[NH4+].[NH4+].S1[As]2(=S)S[Mn]345([S]2[Mn]261(S[As](=S)([S]32)S4)S[As](S6)(=S)[S-])S[As](S5)(=S)[S-].[NH4+].[NH4+].[NH4+] |
Title of publication | Growing Crystalline Chalcogenidoarsenates in Surfactants: From Zero-Dimensional Cluster to Three-Dimensional Framework |
Authors of publication | Wei-Wei Xiong; Eashwer Umesh Athresh; Yu Ting Ng; Junfeng Ding; Tom Wu; Qichun Zhang |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 1256 - 1259 |
a | 9.2086 ± 0.0004 Å |
b | 8.8211 ± 0.0004 Å |
c | 20.7793 ± 0.001 Å |
α | 90° |
β | 96.047 ± 0.002° |
γ | 90° |
Cell volume | 1678.51 ± 0.13 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0266 |
Residual factor for significantly intense reflections | 0.021 |
Weighted residual factors for significantly intense reflections | 0.0427 |
Weighted residual factors for all reflections included in the refinement | 0.044 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/4119240.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.