Information card for entry 7127179

Structure parameters

• Formula: C19 H36 Cl N2 Ni Rh S2
• Calculated formula: C19 H36 Cl N2 Ni Rh S2
• SMILES: [Rh]1234567([Ni]89%10(Cl)([S]1CC[N]9(C)CCC[N]%10(C)CC[S]28)[H]7)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: A NiRhS fuel cell catalyst - lessons from hydrogenase.
• Authors of publication: Ogo, Seiji; Ando, Tatsuya; Minh, Le Tu Thi; Mori, Yuki; Matsumoto, Takahiro; Yatabe, Takeshi; Yoon, Ki-Seok; Sato, Yukio; Hibino, Takashi; Kaneko, Kenji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 79
• Pages of publication: 11787 - 11790
• a: 15.669 ± 0.006 Å
• b: 14.306 ± 0.005 Å
• c: 20.014 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4486 ± 3 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 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 all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No