Information card for entry 4314468

Structure parameters

• Formula: C138 H156 Ag8 B8 F32 N54 O12
• Calculated formula: C138 H156 Ag8 B8 F32 N54 O12
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C12COCc3c4COCC5n6ccc[n]6[Ag]6([n]7cccn57)[n]5cccn5C(COCc(c3)c(COCC3n5ccc[n]5[Ag]([n]5cccn15)([n]1cccn21)[n]1cccn31)c4)n1ccc[n]61.[Ag]([N]#CC)([N]#CC)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C12COCc3c4cc(COCC5n6ccc[n]6[Ag]([n]6cccn16)([n]1cccn21)[n]1cccn51)c(c3)COCC1n2ccc[n]2[Ag]2([n]3cccn3C(COC4)n3ccc[n]23)[n]2cccn12.C12COCc3c4cc(COCC5n6ccc[n]6[Ag]([n]6cccn16)([n]1cccn21)[n]1cccn51)c(c3)COCC1n2ccc[n]2[Ag]2([n]3cccn3C(COC4)n3ccc[n]23)[n]2cccn12.[Ag]([N]#CC)([N]#CC)[N]#CC
• Title of publication: Structural Impact of Multitopic Third-Generation Bis(1-pyrazolyl)methane Ligands: Double, Mononuclear Metallacyclic Silver(I) Complexes
• Authors of publication: Daniel L. Reger; Elizabeth A. Foley; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 234 - 242
• a: 24.7918 ± 0.0004 Å
• b: 24.7918 ± 0.0004 Å
• c: 16.0672 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8552.4 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No