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Information card for entry 2220178
Preview
Coordinates | 2220178.cif |
---|---|
Structure factors | 2220178.hkl |
Original IUCr paper | HTML |
Chemical name | <i>cyclo</i>-Hexa-μ~2~-diphenylacetato-κ^12^<i>O</i>:<i>O</i>'-hexa-μ~3~- oxido-hexakis[phenyltin(IV)] |
---|---|
Formula | C120 H96 O18 Sn6 |
Calculated formula | C120 H96 O18 Sn6 |
SMILES | c1(ccccc1)[Sn]1234[O]=C(O[Sn]567([O]2[Sn]28(c9ccccc9)([O]=C(O1)C(c1ccccc1)c1ccccc1)OC(=[O][Sn]19([O]32)([O]8[Sn]23(c8ccccc8)([O]=C(O1)C(c1ccccc1)c1ccccc1)OC(=[O][Sn](c1ccccc1)([O]=C(O7)C(c1ccccc1)c1ccccc1)([O]92)([O]53)[O]46)C(c1ccccc1)c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 |
Title of publication | <i>cyclo</i>-Hexa-μ~2~-diphenylacetato-κ^12^<i>O</i>:<i>O</i>'-hexa-μ~3~-oxido-hexakis[phenyltin(IV)] |
Authors of publication | Amini, Mostafa M.; Hajiashrafi, Taraneh; Kharat, Ali Nemati; Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 12 |
Pages of publication | m1614 |
a | 12.9375 ± 0.0002 Å |
b | 14.7406 ± 0.0002 Å |
c | 14.8043 ± 0.0002 Å |
α | 103.368 ± 0.001° |
β | 111.716 ± 0.001° |
γ | 92.582 ± 0.001° |
Cell volume | 2525.06 ± 0.07 Å3 |
Cell temperature | 112 ± 2 K |
Ambient diffraction temperature | 112 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0459 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0968 |
Weighted residual factors for all reflections included in the refinement | 0.1175 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
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/2220178.html
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