Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8104530
Preview
| Coordinates | 8104530.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H23 Cu F6 N5 P |
|---|---|
| Calculated formula | C21 H23 Cu F6 N5 P |
| Title of publication | Crystal structure of 1,3-bis(1-methylbenzimidazol-2-yl)- propane(acetonitrile)copper(I)hexafluorophosphate, Cu(C19H20N4)(CH3CN)(PF6) |
| Authors of publication | G. Bernardinelli; A. Kubel-Pollak; S. Ruttimann; A. F. Williams |
| Journal of publication | Zeitschrift fur Kristallographie - Crystalline Materials |
| Year of publication | 1993 |
| Journal volume | 203 |
| Pages of publication | 135 - 137 |
| a | 7.5373 ± 0.0008 Å |
| b | 12.357 ± 0.001 Å |
| c | 14.286 ± 0.002 Å |
| α | 65.178 ± 0.009° |
| β | 75.75 ± 0.01° |
| γ | 82.335 ± 0.007° |
| Cell volume | 1169.8 ± 0.2 Å3 |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Weighted residual factors for significantly intense reflections | 0.069 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198638 (current) | 2017-07-11 | cif/8/10/45/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entry 8104530. |
8104530.cif |
| 197806 | 2017-06-14 | cif/ Adding structures of 8104530 via cif-deposit CGI script. |
8104530.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.