Information card for entry 7113291

Structure parameters

• Formula: C7 H14 Br5 Cu0.5 N0.5
• Calculated formula: C7 H14 Br5 Cu0.5 N0.5
• Title of publication: Halogen-bonded assembly of hybrid inorganic/organic 3D-networks from dibromocuprate salts and tetrabromomethane
• Authors of publication: Rosokha, Sergiy V.; Lu, Jianjiang; Rosokha, Tetyana Y.; Kochi, Jay K.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 32
• Pages of publication: 3383 - 3385
• a: 12.022 ± 0.004 Å
• b: 12.703 ± 0.004 Å
• c: 19.99 ± 0.007 Å
• α: 90°
• β: 102.994 ± 0.008°
• γ: 90°
• Cell volume: 2974.6 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102079
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No