Information card for entry 7127178

Structure parameters

• Formula: C19 H35 Cl2 N2 Ni Rh S2
• Calculated formula: C19 H35 Cl2 N2 Ni Rh S2
• SMILES: [Rh]12345(Cl)([S]6[Ni]78(Cl)[S]1CC[N]8(CCC[N]7(CC6)C)C)[c]1([c]2([c]3([c]4([c]51C)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: 22.125 ± 0.009 Å
• b: 8.337 ± 0.004 Å
• c: 12.839 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2368.2 ± 1.8 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No