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Information card for entry 4080312
Preview
Coordinates | 4080312.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H126 Cd2 Cl2 O26 Zr4 |
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Calculated formula | C54 H126 Cd2 Cl2 O26 Zr4 |
SMILES | [O]1(C(C)C)[Cd]234([O]5(C(C)C)[Zr]61([O]2(C(C)C)[Zr]5([O]6C(C)C)(OC(C)C)([O]3C(C)C)OC(C)C)(OC(C)C)OC(C)C)OCl(=[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)OCl(=[O]4)(=O)=O)(=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 | 12.4431 ± 0.0013 Å |
b | 19.527 ± 0.0017 Å |
c | 21.303 ± 0.002 Å |
α | 90° |
β | 125.021 ± 0.007° |
γ | 90° |
Cell volume | 4238.9 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0947 |
Residual factor for significantly intense reflections | 0.0462 |
Weighted residual factors for significantly intense reflections | 0.1104 |
Weighted residual factors for all reflections included in the refinement | 0.1295 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.874 |
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/4080312.html
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Users of the data should acknowledge the original authors of the
structural data.