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Information card for entry 4001532
Preview
Coordinates | 4001532.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C124 H66 O10 P6 S56 W6 |
---|---|
Calculated formula | C124 H66 O10 P6 S56 W6 |
SMILES | C1(=CSC(=C2SC=CS2)S1)[P](C1=CSC(S1)=C1SC=CS1)([W]1234567[S]8[W]9%10%11%12%132([P](C2=CSC(=C%14SC=CS%14)S2)(C2=CSC(=C%14SC=CS%14)S2)CC)[S]1[W]12%14%157%13([S]9[W]79%13%16%11%14([P](C%11=CSC(=C%14SC=CS%14)S%11)(C%11=CSC(S%11)=C%11SC=CS%11)CC)[S]1[W]1%115%15%13([P](C5=CSC(=C%13SC=CS%13)S5)(C5=CSC(=C%13SC=CS%13)S5)CC)([S]32)[S]9[W]68%12%16%11([P](C2=CSC(S2)=C2SC=CS2)(C2=CSC(=C3SC=CS3)S2)CC)([S]%107)[S]41)[P](C1=CSC(S1)=C1SC=CS1)(C1=CSC(=C2SC=CS2)S1)CC)CC.C1COCC1.C1CCOC1.C1CCOC1.O1CCCC1.O1CCCC1.C1CCOC1.C1CCOC1.C1CCOC1.O1CCCC1.O1CCCC1 |
Title of publication | W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks |
Authors of publication | Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor |
Journal of publication | Chemistry of Materials |
Year of publication | 2006 |
Journal volume | 18 |
Journal issue | 18 |
Pages of publication | 4296 |
a | 16.8243 ± 0.0013 Å |
b | 17.4251 ± 0.0013 Å |
c | 18.9027 ± 0.0014 Å |
α | 106.185 ± 0.002° |
β | 101.5 ± 0.002° |
γ | 112.613 ± 0.002° |
Cell volume | 4609.8 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1585 |
Residual factor for significantly intense reflections | 0.0777 |
Weighted residual factors for significantly intense reflections | 0.1922 |
Weighted residual factors for all reflections included in the refinement | 0.2399 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4001532.html
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