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Information card for entry 2201729
Preview
Coordinates | 2201729.cif |
---|---|
Structure factors | 2201729.hkl |
Original IUCr paper | HTML |
Common name | Bis(1,1,3,3-tetramethyl-1,3-dibenzoatodistannoxane) |
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Chemical name | Octamethyl-1κ^2^C,2κ^2^C,3κ^2^C,4κ^2^C-tetrakis-μ-benzoato- 1:2κ^2^O,O';2:3κ^2^O;3:4κ^2^O,O';1:4κ^2^O-bis-μ~3~-oxo- 1:2:3k^3^O;1:3:4k^3^O-tetratin |
Formula | C36 H44 O10 Sn4 |
Calculated formula | C36 H44 O10 Sn4 |
SMILES | C[Sn]1(C)(OC(=O)c2ccccc2)[O]=C([O][Sn]2(C)(C)[O]1[Sn]1(C)(C)OC(=[O][Sn](C)(C)(OC(=O)c3ccccc3)[O]21)c1ccccc1)c1ccccc1 |
Title of publication | Bis(1,1,3,3-tetramethyl-1,3-dibenzoatodistannoxane) |
Authors of publication | Amini, Mostafa M.; Abadi, Shabnam Hossein; Mirzaee, Mahdi; Lügger, Thomas; Hahn, F. Ekkehardt; Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2002 |
Journal volume | 58 |
Journal issue | 12 |
Pages of publication | m697 - m699 |
a | 9.4001 ± 0.0006 Å |
b | 20.952 ± 0.001 Å |
c | 11.292 ± 0.0007 Å |
α | 90° |
β | 110.671 ± 0.002° |
γ | 90° |
Cell volume | 2080.8 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.049 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.075 |
Weighted residual factors for all reflections included in the refinement | 0.08 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
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/2201729.html
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