Information card for entry 4334435

Structure parameters

• Formula: C54 H46 Ag2 F12 N8 O P2
• Calculated formula: C54 H46 Ag2 F12 N8 O P2
• SMILES: [Ag]1=C2N(Cc3ccccc3)C=CN2Cc2cc(c(cc2CN2C(=[Ag]3)N(Cc4ccccc4)C=C2)CN2C=3N(C=C2)Cc2ccccc2)CN2C=1N(C=C2)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC)CC
• Title of publication: Role of Wingtip Substituents on Benzene-Platform-Based Tetrapodal Ligands toward the Formation of a Self-Assembled Silver Carbene Cage
• Authors of publication: B. Nisar Ahamed; Ranjan Dutta; Pradyut Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4269 - 4276
• a: 11.722 ± 0.004 Å
• b: 22.308 ± 0.007 Å
• c: 21.567 ± 0.007 Å
• α: 90°
• β: 97.334 ± 0.009°
• γ: 90°
• Cell volume: 5594 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No