Information card for entry 7126375

Structure parameters

• Formula: C89 H70 Cl8 F6 N8 Ni4 O6 P
• Calculated formula: C89 H70 Cl8 F6 N8 Ni4 O6 P
• 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: 14.2332 ± 0.0015 Å
• b: 16.4798 ± 0.0017 Å
• c: 19.285 ± 0.002 Å
• α: 112.704 ± 0.002°
• β: 92.701 ± 0.003°
• γ: 103.281 ± 0.003°
• Cell volume: 4014.6 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 109.99 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: 0.2391
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.2162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No