Information card for entry 1551635

Structure parameters

• Formula: C36 H54 N10 Ni4 O12
• Calculated formula: C36 H54 N10 Ni4 O12
• Title of publication: Tetranuclear Nickel(II) and Cobalt(II) Complexes with 3,5-Dimethyl-1-pyrazolylmethanolato and Acetato Bridges Having a Cubane Core
• Authors of publication: LIM, Jongwan; KIM, Gibeom; DO, Kyungseo; LEE, Seonghyun; RYU, Sanghoon; YOSHIOKA, Daisuke; MIKURIYA, Masahiro
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2015
• Journal volume: 31
• Journal issue: 0
• Pages of publication: 49
• a: 11.5812 ± 0.0011 Å
• b: 11.5812 ± 0.0011 Å
• c: 16.58 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2223.8 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No