Information card for entry 4342004

Structure parameters

• Formula: C36 H29 F12 N S2
• Calculated formula: C36 H29 F12 N S2
• Title of publication: Electrocatalytic Proton Reduction by Dimeric Nickel Complex of a Sterically Demanding Pincer-type NS2 Aminobis(thiophenolate) Ligand.
• Authors of publication: Mondragón, Alexander; Flores-Alamo, Marcos; Martínez-Alanis, Paulina R; Aullón, Gabriel; Ugalde-Saldívar, Víctor M; Castillo, Ivan
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 619 - 627
• a: 14.0149 ± 0.0008 Å
• b: 26.9261 ± 0.0014 Å
• c: 18.9431 ± 0.001 Å
• α: 90°
• β: 98.443 ± 0.005°
• γ: 90°
• Cell volume: 7071 ± 0.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No