Information card for entry 4508349

Structure parameters

• Formula: C120 H72 Ag2 B2 F8 N12
• Calculated formula: C120 H72 Ag2 B2 F8 N12
• SMILES: [B](F)(F)(F)[F-].c1[n]2cc(cc1)C#Cc1ccc(cc1)C#Cc1ccc[n]([Ag]([n]3cccc(c3)C#Cc3ccc(cc3)C#Cc3ccc[n]([Ag]2([n]2cc(ccc2)C#Cc2ccc(cc2)C#Cc2cnccc2)[n]2cccc(c2)C#Cc2ccc(cc2)C#Cc2cccnc2)c3)([n]2cccc(c2)C#Cc2ccc(cc2)C#Cc2cnccc2)[n]2cccc(c2)C#Cc2ccc(cc2)C#Cc2cccnc2)c1.[B](F)(F)(F)[F-]
• Title of publication: Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene
• Authors of publication: Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 4245
• a: 9.4363 ± 0.0007 Å
• b: 10.8242 ± 0.0009 Å
• c: 24.6516 ± 0.0019 Å
• α: 87.085 ± 0.001°
• β: 86.609 ± 0.001°
• γ: 65.394 ± 0.001°
• Cell volume: 2284.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No