Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1567598
Preview
Coordinates | 1567598.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ch3Ch2SnNi3(dppm)3I |
---|---|
Formula | C83 H77 I Ni3 P6 Sn |
Calculated formula | C83 H77 I Ni3 P6 Sn |
Title of publication | Synthesis, Structure and Reactivity of µ3-SnH Capped Trinuclear Nickel Cluster |
Authors of publication | Torquato, Nicole A.; Mrse, Anthony A.; Gembicky, Milan; Chan, Thomas; Brunner, Felix M.; Kubiak, Clifford P.; Bertrand, Quentin C.; Palasz, Joseph M. |
Journal of publication | Chemical Science |
Year of publication | 2022 |
a | 16.0909 ± 0.001 Å |
b | 22.5824 ± 0.0012 Å |
c | 20.2582 ± 0.0012 Å |
α | 90° |
β | 103.455 ± 0.002° |
γ | 90° |
Cell volume | 7159.2 ± 0.7 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0404 |
Residual factor for significantly intense reflections | 0.0274 |
Weighted residual factors for significantly intense reflections | 0.0525 |
Weighted residual factors for all reflections included in the refinement | 0.0577 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1567598.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.