Information card for entry 7215167

Structure parameters

• Formula: C22 H16 F2 Hg I2 N6 O2
• Calculated formula: C22 H16 F2 Hg I2 N6 O2
• SMILES: c1c[n](cc(C(=O)Nc2c(cccc2)F)n1)[Hg](I)I.c1cncc(C(=O)Nc2c(cccc2)F)n1
• Title of publication: The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures
• Authors of publication: Khavasi, Hamid Reza; Tahrani, Alireza Azhdari
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 29
• Pages of publication: 5799
• a: 13.9671 ± 0.0011 Å
• b: 7.6637 ± 0.0005 Å
• c: 23.921 ± 0.002 Å
• α: 90°
• β: 101.728 ± 0.007°
• γ: 90°
• Cell volume: 2507 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No