Information card for entry 4078709

Structure parameters

• Formula: C23 H42 Cl F6 N3 Ni P Rh S2
• Calculated formula: C23 H42 Cl F6 N3 Ni P Rh S2
• SMILES: [Rh]12345(Cl)([S]6[Ni]789[S]1CC[N]18CC[N]7(CC6)CC[N]9(CC1)C(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 26.689 ± 0.015 Å
• b: 53.49 ± 0.03 Å
• c: 8.506 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12143 ± 12 ų
• Cell temperature: 393 K
• Ambient diffraction temperature: 393 K
• Number of distinct elements: 9
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No