Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107350
Preview
| Coordinates | 8107350.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H28 Cl Cu N7 O7 |
|---|---|
| Calculated formula | C31 H28 Cl Cu N7 O7 |
| SMILES | C1c2[n](c3ccccc3[nH]2)[Cu]23([N]1(Cc1[n]2c2ccccc2[nH]1)Cc1[n]3c2ccccc2[nH]1)OC(=O)c1ccccc1.Cl(=O)(=O)(=O)[O-].O |
| Title of publication | The crystal structure of (tris(2-benzimidazolylmethyl)amine)-benzoato-copper(II) perchlorate monohydrate, CuC31H28N7O7Cl |
| Authors of publication | Li, Ji; Miao, Mingzhi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 1 |
| Pages of publication | 51 - 53 |
| a | 10.1386 ± 0.0006 Å |
| b | 12.1155 ± 0.0008 Å |
| c | 14.1972 ± 0.0008 Å |
| α | 100.297 ± 0.002° |
| β | 98.411 ± 0.002° |
| γ | 112.774 ± 0.003° |
| Cell volume | 1536.78 ± 0.17 Å3 |
| Cell temperature | 250 K |
| Ambient diffraction temperature | 250 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0911 |
| Residual factor for significantly intense reflections | 0.0613 |
| Weighted residual factors for significantly intense reflections | 0.137 |
| Weighted residual factors for all reflections included in the refinement | 0.1519 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284453 (current) | 2023-06-12 | cif/ Adding structures of 8107350 via cif-deposit CGI script. |
8107350.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.