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Information card for entry 7221859
Preview
| Coordinates | 7221859.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C7 H11 N Ni O9 |
|---|---|
| Calculated formula | C7 H11 N Ni O9 |
| Title of publication | Importance of polarization assisted/resonance assisted hydrogen bonding interactions and unconventional interactions in crystal formations of five new complexes bearing chelidamic acid through proton transfer mechanism |
| Authors of publication | Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; shamsipur, mojtaba; Saeedi, Mahdi; Ardalani, Mehdi; Bauza, Antonio; Mague, Joel T.; Frontera, Antonio; Habibi, Morteza |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 14.7013 ± 0.0006 Å |
| b | 6.8433 ± 0.0003 Å |
| c | 22.2874 ± 0.001 Å |
| α | 90° |
| β | 90.163 ± 0.001° |
| γ | 90° |
| Cell volume | 2242.22 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0469 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1172 |
| Weighted residual factors for all reflections included in the refinement | 0.1189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7221859.cif |
| 153574 | 2015-08-21 | cif/ Adding structures of 7221856, 7221857, 7221858, 7221859, 7221860 via cif-deposit CGI script. |
7221859.cif |
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Users of the data should acknowledge the original authors of the
structural data.