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Information card for entry 4063987
Preview
Coordinates | 4063987.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H80 S2 Si4 Ti2 |
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Calculated formula | C48 H80 S2 Si4 Ti2 |
SMILES | [Ti]123456789(S)(S)[c]%10([c]1([c]2([c]3([c]4%10[Si](CC[Si]([c]19[c]5([c]6([c]7([c]81C)C)C)C)(C)C)(C)C)C)C)C)C.[Ti]123456789%10%11[c]%12([c]1([c]2([c]3([c]4%12[Si]([CH]%11=[CH]%10[Si]([c]19[c]5([c]6([c]7([c]81C)C)C)C)(C)C)(C)C)C)C)C)C |
Title of publication | Reactions of Hydrogen Sulfide with Singly and Doubly Tucked-in Titanocenes |
Authors of publication | Pinkas, Jiří; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 5 |
Pages of publication | 1034 |
a | 8.9285 ± 0.0002 Å |
b | 16.5772 ± 0.0006 Å |
c | 18.2119 ± 0.0006 Å |
α | 110.816 ± 0.0013° |
β | 100.999 ± 0.0019° |
γ | 90.359 ± 0.002° |
Cell volume | 2465.23 ± 0.14 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0537 |
Residual factor for significantly intense reflections | 0.0384 |
Weighted residual factors for significantly intense reflections | 0.0916 |
Weighted residual factors for all reflections included in the refinement | 0.0984 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/4063987.html
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Users of the data should acknowledge the original authors of the
structural data.