Information card for entry 7216302

Structure parameters

• Formula: C49.5 H30.5 Br8 F1.5 N4
• Calculated formula: C49.5 H30.5 Br8 F1.5 N4
• Title of publication: Analysis of pi?halogen dimer interactions present in a family of staircase inclusion compounds
• Authors of publication: Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 75
• Pages of publication: 422
• a: 13.683 ± 0.004 Å
• b: 13.897 ± 0.004 Å
• c: 14.413 ± 0.005 Å
• α: 64.7 ± 0.03°
• β: 82.12 ± 0.02°
• γ: 67.52 ± 0.03°
• Cell volume: 2288.4 ± 1.5 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.64
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No