Information card for entry 3000560
| Formula |
C12.29 H11.76 N2.29 O7.18 |
| Calculated formula |
C12.29 H11.73 N2.29 O7.19 |
| Title of publication |
Tuning of a Hydrogen-Bonded Organic Framework by Liquid-Assisted Mechanosynthesis between Trans-Aconitic Acid and Isonicotinamide |
| Authors of publication |
Gogoi, Diptajyoti; Sasaki, Toshiyuki; Kalita, Nabadeep; Sethi, Tapaswini; Ichiyanagi, Kouhei; Nakane, Takanori; Kawamoto, Akihiro; Das, Dinabandhu; Kurisu, Genji; Thakuria, Ranjit |
| Journal of publication |
Chemistry A European Journal |
| Year of publication |
2025 |
| Journal volume |
31 |
| Pages of publication |
e202403427(1) - e202403427(10) |
| a |
27.933 Å |
| b |
15.206 Å |
| c |
7.146 Å |
| α |
90° |
| β |
109.13° |
| γ |
90° |
| Cell volume |
2867.64 Å3 |
| Cell temperature |
79 K |
| Ambient diffraction temperature |
79 K |
| Number of distinct elements |
4 |
| 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 |
0.2584 |
| Residual factor for significantly intense reflections |
0.1444 |
| Weighted residual factors for significantly intense reflections |
0.3735 |
| Weighted residual factors for all reflections included in the refinement |
0.409 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.978 |
| Diffraction radiation wavelength |
0.02508 Å |
| Diffraction radiation type |
electrons |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/3000560.html
