Information card for entry 7205967

Structure parameters

• Formula: C54 H48 Ag2 B2 F8 I4 N12 O14
• Calculated formula: C54 H48 Ag2 B2 F8 I4 N12 O14
• SMILES: [B](F)(F)(F)[F-].[Ag]123([n]4c(NC(=[O]1)c1ccc(cc1)C(=O)OC)ncc(c4)[I][Ag]14([n]5cc(cnc5NC(=[O]1)c1ccc(cc1)C(=O)OC)[I]3)[n]1cc(I)cnc1NC(=[O]4)c1ccc(cc1)C(=O)OC)[n]1cc(I)cnc1NC(=[O]2)c1ccc(cc1)C(=O)OC.OC.[B](F)(F)(F)[F-].OC
• Title of publication: Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion
• Authors of publication: Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 4121
• a: 9.8556 ± 0.0012 Å
• b: 10.8736 ± 0.0014 Å
• c: 15.375 ± 0.002 Å
• α: 92.219 ± 0.009°
• β: 95.523 ± 0.009°
• γ: 94.117 ± 0.01°
• Cell volume: 1634.1 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No