Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7240564
Preview
| Coordinates | 7240564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | catena-(bis(/m2-beta-Alanine)-lithium perchlotate) |
|---|---|
| Formula | C6 H14 Cl Li N2 O8 |
| Calculated formula | C6 H14 Cl Li N2 O8 |
| 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 | 8.3651 ± 0.0006 Å |
| b | 9.9433 ± 0.0007 Å |
| c | 27.584 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2294.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.04 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| 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. |
7240564.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.