Information card for entry 4314065

Structure parameters

• Formula: C84 H80 Ag2 F6 N8 O4
• Calculated formula: C84 H80 Ag2 F6 N8 O4
• SMILES: c1c(c2cc(C)cc(C)c2)nc(c[n]1[Ag]1([n]2cc(nc(c2)c2cc(C)cc(c2)C)c2cc(C)cc(C)c2)OC(=[O][Ag]([n]2cc(c3cc(C)cc(C)c3)nc(c2)c2cc(C)cc(C)c2)([n]2cc(nc(c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)OC(=[O]1)C(F)(F)F)C(F)(F)F)c1cc(C)cc(c1)C
• Title of publication: Silver(I) Coordination Chemistry of 2,6-Diarylpyrazines. π-Stacking, Anion Coordination, and Steric Control
• Authors of publication: Nate Schultheiss; Douglas R. Powell; Eric Bosch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5304 - 5310
• a: 9.4603 ± 0.0006 Å
• b: 13.3544 ± 0.0008 Å
• c: 14.7099 ± 0.0009 Å
• α: 82.78 ± 0.002°
• β: 84.554 ± 0.002°
• γ: 75.649 ± 0.002°
• Cell volume: 1782.2 ± 0.19 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: 0.0281
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No