Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7240565
Preview
Coordinates | 7240565.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | catena-(/m-3-beta-Alanine-lithium perchlorate) |
---|---|
Formula | C3 H7 Cl Li N O6 |
Calculated formula | C3 H7 Cl Li N O6 |
Title of publication | Polymorphism and structural diversities of LiClO4 - β-alanine ionic co-crystals |
Authors of publication | Marek, Paulina Halina; Cichowicz, Grzegorz; Osowicka, Dorota; Madura, Izabela Dorota; Dobrzycki, Lukasz; Cyranski, Michal; Ciesielski, Arkadiusz |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
a | 24.143 ± 0.003 Å |
b | 5.0111 ± 0.0007 Å |
c | 14.528 ± 0.002 Å |
α | 90° |
β | 125.825 ± 0.003° |
γ | 90° |
Cell volume | 1425.1 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.01 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0306 |
Residual factor for significantly intense reflections | 0.0276 |
Weighted residual factors for significantly intense reflections | 0.0706 |
Weighted residual factors for all reflections included in the refinement | 0.0727 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
252267 (current) | 2020-05-22 | cif/ Adding structures of 7240564, 7240565, 7240566 via cif-deposit CGI script. |
7240565.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.