Information card for entry 4078710

Structure parameters

• Formula: C27 H42 N5 Ni O8 Rh S3
• Calculated formula: C27 H42 N5 Ni O8 Rh S3
• SMILES: [Rh]12345([S]6[Ni]78[S]1CC[N]18CC[N]7(CC6)CCN(S(=O)(=O)c6ccc(cc6)C)CC1)(ON(=O)=O)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.O=N(=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: 15.9358 ± 0.0008 Å
• b: 15.9913 ± 0.001 Å
• c: 26.273 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6695.3 ± 0.7 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No