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Information card for entry 4314096
Preview
Coordinates | 4314096.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H43 B N P S Ti |
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Calculated formula | C40 H43 B N P S Ti |
SMILES | [Ti]123456789(SCC[P]1(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91.N#CC.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
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 | 12.855 ± 0.004 Å |
b | 13.828 ± 0.006 Å |
c | 10.223 ± 0.003 Å |
α | 91.09 ± 0.03° |
β | 100.13 ± 0.02° |
γ | 78.52 ± 0.03° |
Cell volume | 1752.9 ± 1.1 Å3 |
Cell temperature | 296.2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for all reflections included in the refinement | 0.043 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.58 |
Diffraction radiation wavelength | 0.7107 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/4314096.html
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