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Information card for entry 7006188
Preview
Coordinates | 7006188.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H113 N3 O19 Ti W5 |
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Calculated formula | C54 H113 N3 O19 Ti W5 |
SMILES | [W]1234(O[W]567(O[Ti]89%10(Oc%11ccccc%11)O[W]%11(O5)(=O)(O[W]5(O8)(=O)(O[W](O9)(=O)(O6)(O3)[O]47%10%115)O2)O1)=O)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC |
Title of publication | Non-aqueous synthetic methodology for TiW(5) polyoxometalates: protonolysis of [(MeO)TiW(5)O(18)](3-) with alcohols, water and phenols. |
Authors of publication | Errington, R. John; Petkar, Sagar S.; Middleton, Paul S.; McFarlane, William; Clegg, William; Coxall, Robert A.; Harrington, Ross W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 44 |
Pages of publication | 5211 - 5222 |
a | 16.5172 ± 0.0011 Å |
b | 17.7092 ± 0.0012 Å |
c | 23.8534 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6977.3 ± 0.8 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0423 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for all reflections | 0.0894 |
Weighted residual factors for significantly intense reflections | 0.0813 |
Goodness-of-fit parameter for all reflections | 1.137 |
Goodness-of-fit parameter for significantly intense reflections | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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