Information card for entry 7110714

Structure parameters

• Formula: C22.5 H14.5 Br2 Cl1.5 N2
• Calculated formula: C22.75 H14.75 Br2 Cl2.25 N2
• Title of publication: Clathrate formation between halogenated species
• Authors of publication: Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 2389
• a: 14.832 ± 0.007 Å
• b: 16.754 ± 0.005 Å
• c: 18.084 ± 0.009 Å
• α: 90°
• β: 110.8 ± 0.02°
• γ: 90°
• Cell volume: 4201 ± 3 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 2.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No