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Information card for entry 7027573
Preview
Coordinates | 7027573.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | β-Di-μ-chlorotrichloro-bis-(thionylchloride)dititanium(iv) |
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Formula | Cl12 O2 S2 Ti2 |
Calculated formula | Cl12 O2 S2 Ti2 |
SMILES | [O](=S(Cl)Cl)[Ti]1(Cl)([Cl][Ti]([O]=S(Cl)Cl)([Cl]1)(Cl)(Cl)Cl)(Cl)Cl |
Title of publication | Labile adducts of TiCl4 with thionyl chloride structurally characterized at low temperature: a comparison with the zirconium and hafnium analogues, [MCl4(SOCl2)]2 |
Authors of publication | Calderazzo, Fausto; D'Attoma, Michele; Marchetti, Fabio; Pampaloni, Guido; Troyanov, Sergei I. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 14 |
Pages of publication | 2275 |
a | 6.179 ± 0.003 Å |
b | 7.675 ± 0.004 Å |
c | 10.714 ± 0.007 Å |
α | 107.73 ± 0.04° |
β | 91.33 ± 0.04° |
γ | 112.77 ± 0.04° |
Cell volume | 440.5 ± 0.5 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0451 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for all reflections | 0.111 |
Weighted residual factors for significantly intense reflections | 0.0837 |
Goodness-of-fit parameter for all reflections | 1.114 |
Goodness-of-fit parameter for significantly intense reflections | 1.119 |
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/7027573.html
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