Information card for entry 7126377

Structure parameters

• Formula: C71.5 H30 B Cl3 F20 N4 Ni2 O3
• Calculated formula: C71.5 H30 B Cl3 F20 N4 Ni2 O3
• 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: 17.673 ± 0.009 Å
• b: 19 ± 0.009 Å
• c: 19.53 ± 0.008 Å
• α: 87.662 ± 0.012°
• β: 78.355 ± 0.015°
• γ: 89.016 ± 0.017°
• Cell volume: 6417 ± 5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1639
• Residual factor for significantly intense reflections: 0.1084
• Weighted residual factors for significantly intense reflections: 0.3016
• Weighted residual factors for all reflections included in the refinement: 0.3499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No