Information card for entry 7128713

Structure parameters

• Formula: C47 H55.74 Cl26 N8 Ni4 O8.37
• Calculated formula: C46.998 H55.738 Cl25.996 N8 Ni4 O8.37
• Title of publication: Self-assembled nickel cubanes as oxygen evolution catalysts.
• Authors of publication: García-Álvarez, Ana C; Gamboa-Ramírez, Stefani; Martínez-Otero, Diego; Orio, Maylis; Castillo, Ivan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 69
• Pages of publication: 8608 - 8611
• a: 15.1023 ± 0.0006 Å
• b: 15.5842 ± 0.0006 Å
• c: 17.1586 ± 0.0007 Å
• α: 93.357 ± 0.003°
• β: 108.671 ± 0.002°
• γ: 94.518 ± 0.003°
• Cell volume: 3798.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.2322
• Weighted residual factors for all reflections included in the refinement: 0.25
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No