Information card for entry 7102080

Structure parameters

• Formula: C4 H12 Br3 Cu2 N
• Calculated formula: C4 H12 Br3 Cu2 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: 16.535 ± 0.005 Å
• b: 6.558 ± 0.002 Å
• c: 9.621 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1043.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No