Information card for entry 1561000

Structure parameters

• Formula: C84 H66 N8 Ni2 O17 Si2
• Calculated formula: C84 H66 N8 Ni2 O17 Si2
• Title of publication: Two Ni(II) semiconducting metal-organic frameworks based on the tetrakis(4-carboxyphenyl)silane and an imidazole ligand: Syntheses, characterization, water stability and photoelectric properties
• Authors of publication: Li, Qi; Guo, Tiantian; Lv, Xin; Lin, Yifang; Dai, Zhihui; Fang, Min; Bao, Jianchun; Wu, Yong
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 265
• Pages of publication: 100 - 108
• a: 13.235 ± 0.014 Å
• b: 8.817 ± 0.009 Å
• c: 17.848 ± 0.019 Å
• α: 90°
• β: 96.459 ± 0.013°
• γ: 90°
• Cell volume: 2070 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No