Information card for entry 4078711

Structure parameters

• Formula: C27 H46 N4 Ni O6.5 Rh S3
• Calculated formula: C27 H43 N4 Ni O6.5 Rh S3
• SMILES: [Rh]1234567([H][Ni]89%10%117[S]1CC[N]18CC[N]9(CC[S]2%11)CC[N]%10(S(=O)(=O)c2ccc(cc2)C)CC1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.O=N(=O)[O-].O.O
• Title of publication: Hydride-Bridged NiRh Complexes with Tunable N3S2Dithiolato Ligands and Their Utilization as Catalysts for Hydrogenation of Aldehydes and CO2in Aqueous Media
• Authors of publication: Kure, Bunsho; Taniguchi, Ayami; Nakajima, Takayuki; Tanase, Tomoaki
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4791
• a: 10.1751 ± 0.0015 Å
• b: 18.314 ± 0.002 Å
• c: 18.8668 ± 0.0019 Å
• α: 102.06 ± 0.003°
• β: 97.969 ± 0.005°
• γ: 99.346 ± 0.007°
• Cell volume: 3337.8 ± 0.7 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No