Information card for entry 7020763

Structure parameters

• Formula: C30 H24 Ag F3 N2 O4 S
• Calculated formula: C30 H24 Ag F3 N2 O4 S
• SMILES: [Ag]1[n]2cccc(c2)C=Cc2ccccc2C#Cc2cccc(c2)C=Cc2[n]1cccc2.S(=O)(=O)([O-])C(F)(F)F.OC
• 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: 7.543 ± 0.0009 Å
• b: 18.135 ± 0.002 Å
• c: 20.575 ± 0.003 Å
• α: 90°
• β: 95.252 ± 0.004°
• γ: 90°
• Cell volume: 2802.7 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1038
• 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