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Information card for entry 4314095
Preview
Coordinates | 4314095.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H34 P2 S2 Ti |
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Calculated formula | C20 H34 P2 S2 Ti |
SMILES | [Ti]12345678(SCCCP(C)C)(SCCCP(C)C)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51 |
Title of publication | Syntheses and Characterization of Titanium(IV) and Titanium(III) Complexes with (2-Dimethylphosphino)ethane-1-thiolate and (3-Dimethylphosphino)propane-1-thiolate as Ligands |
Authors of publication | Kazutaka Matsuzaki; Hiroyuki Kawaguchi; Peter Voth; Kyoko Noda; Sumitaka Itoh; Hideo D. Takagi; Kazuo Kashiwabara; Kazuyuki Tatsumi |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 5320 - 5329 |
a | 11.432 ± 0.002 Å |
b | 13.193 ± 0.003 Å |
c | 8.755 ± 0.002 Å |
α | 103.68 ± 0.02° |
β | 94.68 ± 0.01° |
γ | 70.36 ± 0.01° |
Cell volume | 1208.3 ± 0.5 Å3 |
Cell temperature | 296.2 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 significantly intense reflections | 0.044 |
Weighted residual factors for all reflections included in the refinement | 0.0507 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.604 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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