Information card for entry 7109127

Structure parameters

• Formula: C104 H90 Cl6 F20 I7 N4 O2
• Calculated formula: C104 H90 Cl6 F20 I7 N4 O2
• Title of publication: Interfacial halogen bonding probed using force spectroscopy
• Authors of publication: Meital Boterashvili; Tanya Shirman; Sidney R. Cohen; Guennadi Evmenenko; Pulak Dutta; Petr Milko; Gregory Leitus; Michal Lahav; Milko E. van der Boom
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3531
• a: 15.433 ± 0.003 Å
• b: 19.544 ± 0.004 Å
• c: 20.069 ± 0.004 Å
• α: 81.88 ± 0.02°
• β: 77.72 ± 0.04°
• γ: 68.69 ± 0.03°
• Cell volume: 5497 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No