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Information card for entry 2213291
Preview
Coordinates | 2213291.cif |
---|---|
Structure factors | 2213291.hkl |
Original IUCr paper | HTML |
Chemical name | (μ~2~-4,4'-Bipyridyl-κ^2^N:N')bis[bis(tri-tert-butoxysilanothiolato- κ^2^S,O)cadmium(II)] tetrahydrofuran disolvate |
---|---|
Formula | C66 H132 Cd2 N2 O14 S4 Si4 |
Calculated formula | C66 H132 Cd2 N2 O14 S4 Si4 |
SMILES | C(C)(C)(C)O[Si]1(OC(C)(C)C)[O](C(C)(C)C)[Cd]2([n]3ccc(c4cc[n](cc4)[Cd]45([O](C(C)(C)C)[Si](OC(C)(C)C)(OC(C)(C)C)S5)[O](C(C)(C)C)[Si](OC(C)(C)C)(OC(C)(C)C)S4)cc3)([O]([Si](OC(C)(C)C)(OC(C)(C)C)S2)C(C)(C)C)S1.O1CCCC1.O1CCCC1 |
Title of publication | (μ~2~-4,4'-Bipyridyl-κ^2^<i>N</i>:<i>N</i>')bis[bis(tri-<i>tert</i>-butoxysilanothiolato-κ^2^<i>S</i>,<i>O</i>)cadmium(II)] tetrahydrofuran disolvate |
Authors of publication | Pladzyk, Agnieszka; Dołęga, Anna; Baranowska, Katarzyna |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 5 |
Pages of publication | m1434 - m1436 |
a | 9.8474 ± 0.0004 Å |
b | 20.4025 ± 0.0008 Å |
c | 21.6171 ± 0.0009 Å |
α | 90° |
β | 101.882 ± 0.004° |
γ | 90° |
Cell volume | 4250.1 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.053 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.112 |
Weighted residual factors for all reflections included in the refinement | 0.126 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.2 |
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/2213291.html
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