Information card for entry 4342007

Structure parameters

• Formula: C14 H26 Ni O12 S2
• Calculated formula: C14 H26 Ni O12 S2
• SMILES: c1(S(=O)(=O)[O-])ccc(cc1)C.[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].c1cc(S(=O)(=O)[O-])ccc1C
• 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: 6.883 ± 0.0006 Å
• b: 6.2815 ± 0.0005 Å
• c: 24.85 ± 0.002 Å
• α: 90°
• β: 91.258 ± 0.009°
• γ: 90°
• Cell volume: 1074.14 ± 0.15 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No