Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2230853
Preview
Coordinates | 2230853.cif |
---|---|
Structure factors | 2230853.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(bicyclo[2.2.1]hept-5-ene-2-carboxylato)- 1κ^2^<i>O</i>,<i>O</i>';4κ^2^<i>O</i>,<i>O</i>'-di-μ~2~-chlorido- 1:2κ^2^<i>Cl</i>;3:4κ^2^<i>Cl</i>-octamethyl- 1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-di-μ~3~-oxido- 1:2:3κ^3^<i>O</i>;2:3:4κ^3^<i>O</i>-tetratin(IV) |
---|---|
Formula | C24 H42 Cl2 O6 Sn4 |
Calculated formula | C24 H42 Cl2 O6 Sn4 |
SMILES | C(=O)([C@H]1[C@H]2C=C[C@@H](C1)C2)O[Sn]1(C)([O]2[Sn](C)(C)([O]([Sn]3(C)(OC(=O)[C@@H]4[C@@H]5C=C[C@H](C4)C5)C)[Sn]2(C)(C)[Cl]3)[Cl]1)C |
Title of publication | Bis(bicyclo[2.2.1]hept-5-ene-2-carboxylato)-1κ^2^<i>O</i>,<i>O</i>';4κ^2^<i>O</i>,<i>O</i>'-di-μ~2~-chlorido-1:2κ^2^<i>Cl</i>;3:4κ^2^<i>Cl</i>-octamethyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-di-μ~3~-oxido-1:2:3κ^3^<i>O</i>;2:3:4κ^3^<i>O</i>-tetratin(IV) |
Authors of publication | Ren, Yupo |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 7 |
Pages of publication | m984 |
a | 9.3685 ± 0.0012 Å |
b | 9.8651 ± 0.0013 Å |
c | 9.9103 ± 0.0015 Å |
α | 109.779 ± 0.002° |
β | 96.34 ± 0.001° |
γ | 97.204 ± 0.001° |
Cell volume | 843.5 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0831 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.1097 |
Weighted residual factors for all reflections included in the refinement | 0.1296 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
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/2230853.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.