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Information card for entry 4325407
Preview
Coordinates | 4325407.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H75 Cl O16 Zn Zr4 |
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Calculated formula | C30 H75 Cl O16 Zn Zr4 |
SMILES | [Zn]12(Cl)[O]([Zr]34([O]56[Zr]7(OCC)(OCC)([O]([Zr]5(OCC)(OCC)([O]3CC)[O]([Zr]6(OCC)([O]7CC)([O]4CC)[O]2CC)CC)CC)[O]1CC)(OCC)OCC)CC |
Title of publication | Extending the Family of Titanium Heterometallic-oxo-alkoxy Cages |
Authors of publication | Salvador Eslava; Benjamin P. R. Goodwill; Mary McPartlin; Dominic S. Wright |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 5655 - 5662 |
a | 22.1264 ± 0.0003 Å |
b | 11.2806 ± 0.0002 Å |
c | 22.5715 ± 0.0004 Å |
α | 90° |
β | 117.79 ± 0.001° |
γ | 90° |
Cell volume | 4984.03 ± 0.15 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1718 |
Residual factor for significantly intense reflections | 0.1567 |
Weighted residual factors for significantly intense reflections | 0.4262 |
Weighted residual factors for all reflections included in the refinement | 0.4418 |
Goodness-of-fit parameter for all reflections included in the refinement | 3.555 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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