Information card for entry 4084140

Structure parameters

• Formula: C29 H41 N Ni O3.5 P2 Rh S2
• Calculated formula: C29 H40 N Ni O3.5 P2 Rh S2
• SMILES: [Rh]1234567([Ni]89%10([S]1CC[P@@]9(CCC[P@@]%10(CC[S]28)c1ccccc1)c1ccccc1)[H]7)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.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: 24.008 ± 0.007 Å
• b: 14.763 ± 0.004 Å
• c: 20.397 ± 0.006 Å
• α: 90°
• β: 118.949 ± 0.003°
• γ: 90°
• Cell volume: 6326 ± 3 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No