Information card for entry 8106195

Structure parameters

• Formula: C58 H86 N8 Ni3 O18
• Calculated formula: C58 H86 N8 Ni3 O18
• Title of publication: Synthesis and crystal structure of bis(μ2-acetato-κ2 O:O′)-di(ethanol)-bis{μ2-5-(N,N′-diethylamine)-5′-methoxyl-2,2′-[ethylenediyldioxybis(nitrilomethylidyne)]diphenolato-κ6 O:O,N,N,O′:O′}trinickel(II) – ethanol – acetonitrile (1/2/2), C58H86Ni3N8O18
• Authors of publication: Zong-Li, Ren; Xiao-Xin, An; Ling-Zhi, Liu; Peng-Fei, Lan; Wen-Kui, Dong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 495 - 497
• a: 11.4561 ± 0.0008 Å
• b: 13.1859 ± 0.0008 Å
• c: 13.5063 ± 0.0011 Å
• α: 109.62 ± 0.007°
• β: 101.234 ± 0.007°
• γ: 114.469 ± 0.006°
• Cell volume: 1611.1 ± 0.3 ų
• Cell temperature: 173.69 ± 0.1 K
• Ambient diffraction temperature: 173.69 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No