Information card for entry 4084143

Structure parameters

• Formula: C37 H45 N O3.5 P2 Pd Rh S2
• Calculated formula: C37 H44 N O3.5 P2 Pd Rh S2
• SMILES: [Pd]123[S]4[Rh]5678([S]1CC[P@]3(CCC[P@]2(CC4)c1ccccc1)c1ccccc1)([c]1([c]5([c]6([c]7([c]81C)C)C)C)C)C#Cc1ccccc1.O=N(=O)[O-].O
• 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: 26.068 ± 0.006 Å
• b: 15.995 ± 0.003 Å
• c: 18.555 ± 0.004 Å
• α: 90°
• β: 106.31 ± 0.002°
• γ: 90°
• Cell volume: 7425 ± 3 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No