Information card for entry 8103088

Structure parameters

• Formula: C53.19 H76.38 N4 Ni3 O21.06
• Calculated formula: C53.192 H76.384 N4 Ni3 O21.064
• Title of publication: Crystal structure of bis[(3,3'-dimethoxy-2,2'-1,3-propylene)dioxy-bis(nitrilomethylidyne)diphenolato]-bis(acetato-O1,O2)-bis(ethanol-O)trinickel(II) — ethanol — acetone (1:2:1.06), Ni3(C19H20N2O6)2(C2H5OH)2(C2H3O2)2 · 2C2H5OH · 1.06C3H6O
• Authors of publication: Xiong-Hou Gao; Xiu-Yan Dong; Li Li; Yin-Xia Sun; Wen-Kui Dong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 138
• a: 11.557 ± 0.0017 Å
• b: 11.9129 ± 0.0017 Å
• c: 12.136 ± 0.002 Å
• α: 70.175 ± 0.003°
• β: 71.716 ± 0.002°
• γ: 85.93 ± 0.003°
• Cell volume: 1491.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0586
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No