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Information card for entry 2238818
Preview
Coordinates | 2238818.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Di-μ-oxido-bis({2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}titanium(IV)) chloroform disolvate |
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Formula | C34 H30 Cl6 N4 O6 Ti2 |
Calculated formula | C34 H30 Cl6 N4 O6 Ti2 |
SMILES | C(Cl)(Cl)Cl.[N]12=Cc3c(O[Ti]451([N](=Cc1c(O4)cccc1)CC2)O[Ti]124([N](=Cc6c(O2)cccc6)CC[N]1=Cc1c(O4)cccc1)O5)cccc3.C(Cl)(Cl)Cl |
Title of publication | Di-μ-oxido-bis({2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}titanium(IV)) chloroform disolvate |
Authors of publication | Zaitsev, Kirill V.; Karlov, Sergey S.; Zaitseva, Galina S.; Lermontova, Elmira Kh.; Churakov, Andrei V. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 11 |
Pages of publication | m626 - m627 |
a | 8.8115 ± 0.001 Å |
b | 11.4587 ± 0.0013 Å |
c | 18.785 ± 0.002 Å |
α | 90° |
β | 98.226 ± 0.002° |
γ | 90° |
Cell volume | 1877.2 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0393 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for significantly intense reflections | 0.0797 |
Weighted residual factors for all reflections included in the refinement | 0.0836 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/2238818.html
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Users of the data should acknowledge the original authors of the
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