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Information card for entry 4080316
Preview
Coordinates | 4080316.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H126 Cd2 F6 O24 S2 Zr4 |
---|---|
Calculated formula | C56 H126 Cd2 F6 O24 S2 Zr4 |
SMILES | [O]1(C(C)C)[Cd]234([O]([Zr]56([O]2(C(C)C)[Zr]1([O]35C(C)C)([O]6C(C)C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C)C(C)C)[O]=S(C(F)(F)F)(O[Cd]123([O](C(C)C)[Zr]56([O]2(C(C)C)[Zr]([O]1C(C)C)([O]35C(C)C)([O]6C(C)C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C)[O]=S(C(F)(F)F)(O4)=O)=O |
Title of publication | Synthetic and Structural Investigations on the Reactivity of the Cd‒I Bond in [ICd{Zr2(OPri)9}] to Construct New Mixed-Metal Alkoxides |
Authors of publication | Hegemann, Corinna; Tyrra, Wieland; Neudörfl, Jörg-Martin; Mathur, Sanjay |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 6 |
Pages of publication | 1654 |
a | 11.5307 ± 0.0015 Å |
b | 20.538 ± 0.002 Å |
c | 20.228 ± 0.003 Å |
α | 90° |
β | 112.186 ± 0.011° |
γ | 90° |
Cell volume | 4435.7 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1504 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0614 |
Weighted residual factors for all reflections included in the refinement | 0.0773 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.65 |
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/4080316.html
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Users of the data should acknowledge the original authors of the
structural data.