Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2218312
Preview
Coordinates | 2218312.cif |
---|---|
Structure factors | 2218312.hkl |
Original IUCr paper | HTML |
Chemical name | [μ-1,4-Bis(diphenylphosphinoyl)butane- κ^2^<i>O</i>:<i>O</i>']bis[cyclopentyldiphenyl(trifluoroacetato- κ<i>O</i>)tin(IV)] |
---|---|
Formula | C66 H66 F6 O6 P2 Sn2 |
Calculated formula | C66 H66 F6 O6 P2 Sn2 |
SMILES | C1(CCCC1)[Sn](c1ccccc1)(OC(=O)C(F)(F)F)([O]=P(c1ccccc1)(c1ccccc1)CCCCP(=[O][Sn](C1CCCC1)(c1ccccc1)(OC(=O)C(F)(F)F)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | [μ-1,4-Bis(diphenylphosphinoyl)butane-κ^2^<i>O</i>:<i>O</i>']bis[cyclopentyldiphenyl(trifluoroacetato-κ<i>O</i>)tin(IV)] |
Authors of publication | Teo, Yin Yin; Lo, Kong Mun; Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 6 |
Pages of publication | m790 |
a | 17.3833 ± 0.0003 Å |
b | 12.9181 ± 0.0002 Å |
c | 28.2447 ± 0.0004 Å |
α | 90° |
β | 110.99 ± 0.001° |
γ | 90° |
Cell volume | 5921.73 ± 0.17 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0381 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.0829 |
Weighted residual factors for all reflections included in the refinement | 0.0878 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2218312.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.