Information card for entry 4084145

Structure parameters

• Formula: C19 H24 P2 Pd S2
• Calculated formula: C19 H24 P2 Pd S2
• SMILES: [Pd]123SCC[P@@]2(CCC[P@@]3(CCS1)c1ccccc1)c1ccccc1
• Title of publication: Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)
• Authors of publication: Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 3950
• a: 11.366 ± 0.01 Å
• b: 14.544 ± 0.012 Å
• c: 12.083 ± 0.01 Å
• α: 90°
• β: 96.348 ± 0.011°
• γ: 90°
• Cell volume: 1985 ± 3 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• 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: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No