Information card for entry 4084139

Structure parameters

• Formula: C29 H39 N2 O6 P2 Pt Rh S2
• Calculated formula: C29 H39 N2 O6 P2 Pt Rh S2
• SMILES: [Pt]123[S]4[Rh]5678([S]1CC[P@]3(CCC[P@]2(CC4)c1ccccc1)c1ccccc1)(ON(=O)=O)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C.O=N(=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: 13.074 ± 0.008 Å
• b: 14.113 ± 0.008 Å
• c: 19.279 ± 0.011 Å
• α: 90°
• β: 102.625 ± 0.007°
• γ: 90°
• Cell volume: 3471 ± 4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No