Information card for entry 7127016

Structure parameters

• Formula: C7 H13 Ni1.5 S4
• Calculated formula: C7 H13 Ni1.5 S4
• Title of publication: Hydrogen evolution reaction mediated by an all-sulfur trinuclear nickel complex.
• Authors of publication: Pieri, Cyril; Bhattacharjee, Anirban; Barrozo, Alexandre; Faure, Bruno; Giorgi, Michel; Fize, Jennifer; Réglier, Marius; Field, Martin; Orio, Maylis; Artero, Vincent; Hardré, Renaud
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 75
• Pages of publication: 11106 - 11109
• a: 16.0517 ± 0.0003 Å
• b: 12.69 ± 0.0002 Å
• c: 11.0788 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2256.71 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No