Information card for entry 7114531

Structure parameters

• Formula: C17 H35 Cl P2 Pd S2 Ti
• Calculated formula: C17 H35 Cl P2 Pd S2 Ti
• SMILES: [Pd]1(S[Ti]2345(Cl)(S1)[cH]1[cH]3[cH]4[cH]5[cH]21)([P](CC)(CC)CC)[P](CC)(CC)CC
• 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: 11.417 ± 0.005 Å
• b: 17.174 ± 0.008 Å
• c: 12.419 ± 0.006 Å
• α: 90°
• β: 99.558 ± 0.007°
• γ: 90°
• Cell volume: 2401.3 ± 1.9 ų
• Cell temperature: 153.2 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: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No