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Information card for entry 4325403
Preview
Coordinates | 4325403.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H90 Cl2 Co O23 Ti7 |
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Calculated formula | C36 H90 Cl2 Co O23 Ti7 |
SMILES | [Ti]123([O]45[Ti]6([O]7[Ti]89([O]%10%11[Ti]%12%13([O]9CC)(OCC)[O]([Co](Cl)([O]8CC)[O]([Ti]8%10([O]([Ti]4(Cl)([O]8CC)(OCC)[O]2CC)[Ti]57%11([O]3CC)O%13)([O]%12CC)OCC)CC)CC)([O]6CC)OCC)([O]1CC)(OCC)OCC)(OCC)OCC |
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 | 12.322 ± 0.0004 Å |
b | 13.5953 ± 0.0004 Å |
c | 19.3999 ± 0.0007 Å |
α | 80.403 ± 0.002° |
β | 82.37 ± 0.002° |
γ | 70.819 ± 0.002° |
Cell volume | 3015.89 ± 0.18 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 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 | 0.0909 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.1188 |
Weighted residual factors for all reflections included in the refinement | 0.1367 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4325403.html
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Users of the data should acknowledge the original authors of the
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