Information card for entry 4129424

Structure parameters

• Formula: C18 H12 N2 Ni S2
• Calculated formula: C18 H12 N2 Ni S2
• Title of publication: In situ imaging of on-surface, solvent-free molecular single-crystal growth.
• Authors of publication: Liu, Guangfeng; Liu, Jie; Sun, Hao; Zheng, Xiaoxin; Liu, Yang; Li, Xiaomin; Qi, He; Bai, Xuedong; Jackson, Kenneth A.; Tao, Xutang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 15
• Pages of publication: 4972 - 4975
• a: 3.6839 ± 0.0003 Å
• b: 14.8496 ± 0.0014 Å
• c: 13.0315 ± 0.0012 Å
• α: 90°
• β: 91.346 ± 0.001°
• γ: 90°
• Cell volume: 712.68 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No