Information card for entry 4078708

Structure parameters

• Formula: C32 H52 Cl F3 N3 Ni O6 Rh S4
• Calculated formula: C32 H52 Cl F3 N3 Ni O6 Rh S4
• SMILES: [Rh]12345(Cl)([S]6[Ni]78[S]1CC[N]18CC[N]7(CC6)CCN(S(=O)(=O)c6ccc(cc6)C)CC1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F.O(CC)CC
• 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: 7.941 ± 0.004 Å
• b: 21.451 ± 0.011 Å
• c: 24.46 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4167 ± 4 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.2016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No