Information card for entry 7102073

Structure parameters

• Formula: C19.25 H18.25 Br Cl0.75 N
• Calculated formula: C19.25 H18.25 Br Cl0.75 N
• Title of publication: Hydrogen-bonded cubanes and ladder fragments by analogy with the inorganic solid state.
• Authors of publication: Bond, Andrew D; Jørgensen, Wendie H; Pløger, Jane M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 31
• Pages of publication: 3273 - 3275
• a: 14.3387 ± 0.0003 Å
• b: 14.3387 ± 0.0003 Å
• c: 20.4479 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3640.82 ± 0.18 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1778
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No