Information card for entry 7205968

Structure parameters

• Formula: C52 H40 Ag2 F12 I4 N12 O12 P2
• Calculated formula: C52 H40 Ag2 F12 I4 N12 O12 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Ag]123([n]4c(ncc(c4)[I][Ag]45([n]6cc(cnc6NC(c6ccc(cc6)C(=O)OC)=[O]4)[I]2)[n]2cc(I)cnc2NC(=[O]5)c2ccc(cc2)C(=O)OC)NC(=[O]1)c1ccc(cc1)C(=O)OC)[n]1cc(I)cnc1NC(=[O]3)c1ccc(cc1)C(=O)OC.[P](F)(F)(F)(F)(F)[F-]
• 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: 11.6037 ± 0.0019 Å
• b: 11.6541 ± 0.0016 Å
• c: 13.053 ± 0.003 Å
• α: 73.417 ± 0.013°
• β: 77.433 ± 0.014°
• γ: 72.924 ± 0.013°
• Cell volume: 1599.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No