Information card for entry 7020761

Structure parameters

• Formula: C30 H16 Ag F3 N2 O2
• Calculated formula: C30 H16 Ag F3 N2 O2
• SMILES: [Ag]1(OC(=O)C(F)(F)F)[n]2ccccc2C#Cc2cccc(c2)C#Cc2ccccc2C#Cc2ccc[n]1c2
• Title of publication: Conjugated metallorganic macrocycles: opportunities for coordination-driven planarization of bidentate, pyridine-based ligands.
• Authors of publication: Hamm, Danielle C.; Braun, Lindsey A.; Burazin, Alex N.; Gauthier, Amanda M.; Ness, Kendra O.; Biebel, Casey E.; Sauer, Jon S.; Tanke, Robin; Noll, Bruce C.; Bosch, Eric; Bowling, Nathan P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 4
• Pages of publication: 948 - 958
• a: 16.8364 ± 0.0017 Å
• b: 7.9149 ± 0.0008 Å
• c: 19.851 ± 0.002 Å
• α: 90°
• β: 114.254 ± 0.001°
• γ: 90°
• Cell volume: 2411.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0975
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No