Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2243486
Preview
| Coordinates | 2243486.cif |
|---|---|
| Structure factors | 2243486.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>catena</i>-Poly[[[diaquabis(<i>N</i>-benzoylglycinato)nickel(II)]-μ-aqua] dihydrate] |
|---|---|
| Formula | C18 H26 N2 Ni O11 |
| Calculated formula | C18 H26 N2 Ni O11 |
| SMILES | [Ni]([OH2])([OH2][Ni]([OH2])(OC(=O)CNC(=O)c1ccccc1)([OH2])([OH2])OC(=O)CNC(=O)c1ccccc1)(OC(=O)CNC(=O)c1ccccc1)([OH2])OC(=O)CNC(=O)c1ccccc1.O.O.O.O |
| Title of publication | Crystal structures of two isostructural bivalent metal <i>N</i>-benzoylglycinates |
| Authors of publication | Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 8 |
| Pages of publication | 1260 - 1265 |
| a | 40.884 ± 0.004 Å |
| b | 6.9438 ± 0.0008 Å |
| c | 7.8983 ± 0.0008 Å |
| α | 90° |
| β | 91.9 ± 0.002° |
| γ | 90° |
| Cell volume | 2241 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0631 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.1472 |
| Weighted residual factors for all reflections included in the refinement | 0.1511 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254204 (current) | 2020-07-11 | cif/ hkl/ Adding structures of 2243485, 2243486 via cif-deposit CGI script. |
2243486.cif 2243486.hkl |
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.