Information card for entry 8103331

Structure parameters

• Formula: C40 H36 N4 Ni2 O10 S2
• Calculated formula: C40 H36 N4 Ni2 O10 S2
• Title of publication: Crystal structure of diaquabis[m-3-(4-carboxylatophenyl)propionato]bis(m-4,4'-thiodipyridine)dinickel(II), Ni2(H2O)2(C10H8O4)2(C10H8N2S)2
• Authors of publication: Yu-Min Yang; Xin-Xiang Cao; Teng-Teng Lv; Ya Song
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 129
• a: 38.387 ± 0.005 Å
• b: 8.6881 ± 0.001 Å
• c: 11.6559 ± 0.0014 Å
• α: 90°
• β: 94.692 ± 0.002°
• γ: 90°
• Cell volume: 3874.3 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No