Information card for entry 4342003

Structure parameters

• Formula: C72 H58 F24 N2 Ni2 S4
• Calculated formula: C72 H58 F24 N2 Ni2 S4
• 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: 24.8355 ± 0.0018 Å
• b: 16.3722 ± 0.0008 Å
• c: 17.658 ± 0.001 Å
• α: 90°
• β: 94.566 ± 0.006°
• γ: 90°
• Cell volume: 7157.2 ± 0.7 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No