Information card for entry 7126378

Structure parameters

• Formula: C184 H72 B4 Cl12 F80 N8 Ni4 O6
• Calculated formula: C184 H72 B4 Cl12 F80 N8 Ni4 O6
• Title of publication: A tetranuclear nickel cluster isolated in multiple high-valent states.
• Authors of publication: Jacob, Samuel I.; Douair, Iskander; Wu, Guang; Maron, Laurent; Ménard, Gabriel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 59
• Pages of publication: 8182 - 8185
• a: 17.902 ± 0.0012 Å
• b: 28.102 ± 0.0016 Å
• c: 19.0679 ± 0.0011 Å
• α: 90°
• β: 90.382 ± 0.004°
• γ: 90°
• Cell volume: 9592.5 ± 1 ų
• Cell temperature: 99.96 K
• Ambient diffraction temperature: 99.96 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.2041
• Residual factor for significantly intense reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.3049
• Weighted residual factors for all reflections included in the refinement: 0.405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2705
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No