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Information card for entry 7039189
Preview
Coordinates | 7039189.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C140 H108 Cl12 N8 O28 Ti10 |
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Calculated formula | C140 H108 Cl12 N8 O28 Ti10 |
SMILES | c12c(cccc1)O[Ti]1345[O]6[Ti]78([n]9ccc(cc9)c9ccccc9)(O[Ti]9%10%11([O]4[Ti]4%12%13([n]%14ccc(cc%14)c%14ccccc%14)[O]1[Ti]1([n]%14ccc(cc%14)c%14ccccc%14)(O[Ti]%14%15%16([O]3[Ti]36([n]6ccc(cc6)c6ccccc6)([O]8c6c(O7)cccc6)[O]%10[Ti]67([O]%14[Ti]8([n]%10ccc(cc%10)c%10ccccc%10)(O3)(Oc3c(cccc3)O6)Oc3c(cccc3)[O]%168)([O]9[Ti]3([n]6ccc(cc6)c6ccccc6)(O%13)(Oc6c(cccc6)O7)Oc6c(cccc6)[O]%113)[O]%12%15)[n]3ccc(cc3)c3ccccc3)(Oc3c(cccc3)O5)Oc3c(cccc3)[O]41)[n]1ccc(cc1)c1ccccc1)O2.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | Titanium oxo-clusters derivatized from the Ti10O12(cat)8(py)8 complex: structural investigation and spectroscopic studies of light absorption. |
Authors of publication | Chaumont, Clément; Chaumont, Alain; Kyritsakas, Nathalie; Mobian, Pierre; Henry, Marc |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 21 |
Pages of publication | 8760 - 8769 |
a | 29.1802 ± 0.001 Å |
b | 29.1802 ± 0.001 Å |
c | 16.145 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 13747.2 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.1803 |
Residual factor for significantly intense reflections | 0.1028 |
Weighted residual factors for significantly intense reflections | 0.1902 |
Weighted residual factors for all reflections included in the refinement | 0.2206 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
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/7039189.html
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