Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7010921
Preview
Coordinates | 7010921.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H20 Cl4 N10 Ni S2 |
---|---|
Calculated formula | C27.692 H19.384 Cl3.384 N10 Ni S2 |
Title of publication | Tetrakis(3-cyanopyridine)diisothiocyanatonickel(ii) and its clathrates with EtOH and CH2Cl2: structures, thermal stabilities and enthalpies of guest releaseWerner clathrates. Part 15.10 Electronic supplementary information (ESI) available: XRPD traces for 1–3 and for the product obtained on exposure of 1 to CH2Cl2 vapour; graphical representation of the Clausius–Clapeyron equation for the thermal decomposition of 2 and 3; rotatable 3-D crystal structure diagrams in CHIME format. See http://www.rsc.org/suppdata/dt/b1/b105299n/ |
Authors of publication | Kilkenny, Mairi L.; Nassimbeni, Luigi R. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 20 |
Pages of publication | 3065 |
a | 17.8126 ± 0.0007 Å |
b | 11.5532 ± 0.0004 Å |
c | 17.1122 ± 0.0008 Å |
α | 90° |
β | 97.668 ± 0.002° |
γ | 90° |
Cell volume | 3490.1 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0737 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1453 |
Weighted residual factors for all reflections included in the refinement | 0.1594 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/7010921.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.