Information card for entry 4078707

Structure parameters

• Formula: C13 H27 N3 Ni S2
• Calculated formula: C13 H27 N3 Ni S2
• SMILES: [Ni]1234SCC[N]52CC[N]3(CCS1)CC[N]4(CC5)C(C)C
• 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: 8.163 ± 0.015 Å
• b: 17.29 ± 0.04 Å
• c: 12.29 ± 0.03 Å
• α: 90°
• β: 91.418 ± 0.014°
• γ: 90°
• Cell volume: 1734 ± 7 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.2237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No