Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4321407
Preview
Coordinates | 4321407.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Tetra(n-butyl)ammonium tetracyanotricuprate(I) acetronitrile solvate |
---|---|
Formula | C22 H39 Cu3 N6 |
Calculated formula | C22 H39 Cu3 N6 |
Title of publication | Crystal Structures and Vibrational Spectroscopy of [NBu4][Cu(CN)X] (X = Br, I) and [NBu4][Cu3(CN)4].CH3CN |
Authors of publication | Graham A. Bowmaker; Hans Hartl; Victoria Urban |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 4548 - 4554 |
a | 16.8572 ± 0.0004 Å |
b | 14.118 ± 0.0003 Å |
c | 13.391 ± 0.0001 Å |
α | 90° |
β | 113.3 ± 0.03° |
γ | 90° |
Cell volume | 2927 ± 0.7 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0639 |
Residual factor for significantly intense reflections | 0.0361 |
Weighted residual factors for significantly intense reflections | 0.0864 |
Weighted residual factors for all reflections included in the refinement | 0.1016 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4321407.html
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.