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Information card for entry 7101996
Preview
Coordinates | 7101996.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 99185 |
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Formula | C19 H30 K N O10 S2 Ti |
Calculated formula | C19 H30 K N O10 S2 Ti |
SMILES | [Ti]12([S]=C(S1)N(C)C)(C#[O])(C#[O][K]13456([O]#C2)[O]2CC[O]1CC[O]3CC[O]4CC[O]5CC[O]6CC2)C#[O] |
Title of publication | Zerovalent titanium-sulfur complexes. Novel dithiocarbamato derivatives of Ti(CO)6: [Ti(CO)4(S2CNR2)]-. |
Authors of publication | Jilek, Robert E; Tripepi, Giovanna; Urnezius, Eugenijus; Brennessel, William W; Young, Jr, Victor G; Ellis, John E |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 25 |
Pages of publication | 2639 - 2641 |
a | 33.882 ± 0.012 Å |
b | 8.511 ± 0.003 Å |
c | 19.052 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5494 ± 3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0621 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0865 |
Weighted residual factors for all reflections included in the refinement | 0.0931 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
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/7101996.html
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