Information card for entry 7102078

Structure parameters

• Formula: C13 H28 Br6 Cu N
• Calculated formula: C13 H28 Br6 Cu N
• 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: 8.298 ± 0.014 Å
• b: 10.536 ± 0.016 Å
• c: 13.75 ± 0.03 Å
• α: 92.04 ± 0.06°
• β: 103.73 ± 0.07°
• γ: 97.26 ± 0.05°
• Cell volume: 1156 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No