Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7246492
Preview
| Coordinates | 7246492.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | DPPMA/MTBPS |
|---|---|
| Formula | C162 H165 N25 O18 S4 |
| Calculated formula | C117 H95.9997 N16 O12 S4 |
| Title of publication | The introduction of a base component to porous organic salts and their CO2 storage capability |
| Authors of publication | Ami, Takahiro; Oka, Kouki; Tsuchiya, Keiho; Kosaka, Wataru; Miyasaka, Hitoshi; Tohnai, Norimitsu |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 15 |
| Pages of publication | 2321 - 2325 |
| a | 21.9765 ± 0.0004 Å |
| b | 21.9765 ± 0.0004 Å |
| c | 114.166 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 47751.2 ± 1.5 Å3 |
| Cell temperature | 213 K |
| Ambient diffraction temperature | 213 K |
| Number of distinct elements | 5 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.1275 |
| Residual factor for significantly intense reflections | 0.1015 |
| Weighted residual factors for significantly intense reflections | 0.3298 |
| Weighted residual factors for all reflections included in the refinement | 0.3624 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.251 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283217 (current) | 2023-05-05 | cif/ Updating files of 7246492 Original log message: Adding full bibliography for 7246492.cif. |
7246492.cif |
| 281968 | 2023-03-22 | cif/ Adding structures of 7246492 via cif-deposit CGI script. |
7246492.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.