Information card for entry 7219926

Structure parameters

• Formula: C40 H34 Ag F6 N6 O2 P
• Calculated formula: C40 H34 Ag F6 N6 O2 P
• SMILES: [Ag]1=C2N(Cc3ncccc3)c3c(N2CCOc2cc4ccccc4cc2OCCN2C=1N(c1c2cccc1)Cc1ncccc1)cccc3.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: NHC Macrometallocycles of Mercury(II) and Silver(I): Synthesis, Structural Studies and Recognition of Hg(II) Complex 4 for Silver ion
• Authors of publication: liu, qingxiang; Wei, Qing; Liu, Rui; Zhao, Xiao-Jun; Zhao, Zhi-Xiang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 15.391 ± 0.003 Å
• b: 17.539 ± 0.003 Å
• c: 15.492 ± 0.003 Å
• α: 90°
• β: 119.003 ± 0.003°
• γ: 90°
• Cell volume: 3657.5 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No