Information card for entry 7114532

Structure parameters

• Formula: C25 H62 Cl4 P4 Pd2 S3 Ti
• Calculated formula: C25 H62 Cl4 P4 Pd2 S3 Ti
• SMILES: [Pd]1([S]2[Ti](Cl)(Cl)(=S)[S]1[Pd]2([P](CC)(CC)CC)[P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC.ClCCl
• Title of publication: Palladium dimethylsilanedithiolato complex: a precursor for Ti‒Pd and Ti‒Pd2 heterometallic complexesElectronic supplementary information (ESI) available: experimental details and spectroscopic data for 1, 2 and 3. See http://www.rsc.org/suppdata/cc/b2/b201702d/
• Authors of publication: Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 988
• a: 10.305 ± 0.003 Å
• b: 20.642 ± 0.007 Å
• c: 19.845 ± 0.007 Å
• α: 90°
• β: 93.913 ± 0.004°
• γ: 90°
• Cell volume: 4212 ± 2 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No