Information card for entry 4089492

Structure parameters

• Formula: C80 H88 Cl8 N16 Ni4 O8 S4
• Calculated formula: C80 H84 Cl8 N16 Ni4 O8 S4
• Title of publication: NHC Metal (Silver, Mercury, and Nickel) Complexes Based on Quinoxaline‒Dibenzimidazolium Salts: Synthesis, Structural Studies, and Fluorescent Chemosensors for Cu2+by Charge Transfer
• Authors of publication: Liu, Qing-Xiang; Yao, Zhao-Quan; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Xiu-Guang
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 12
• Pages of publication: 3493
• a: 17.979 ± 0.008 Å
• b: 31.232 ± 0.019 Å
• c: 15.858 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8905 ± 8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1574
• Residual factor for significantly intense reflections: 0.1331
• Weighted residual factors for significantly intense reflections: 0.277
• Weighted residual factors for all reflections included in the refinement: 0.2939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No