Information card for entry 4320641

Structure parameters

• Formula: C5 H8 Br2 Cu N3
• Calculated formula: C5 H8 Br2 Cu N3
• Title of publication: Synthesis and Crystal Structures of (C5H7N3Br)3CuBr4 and (C5H8N3)CuBr2: An Isolated Tetrahedral CuBr43- Anion
• Authors of publication: Shu-Hui Liu; Jhy-Der Chen; Lin-Shu Liou; Ju-Chun Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6499 - 6501
• a: 17.122 ± 0.002 Å
• b: 6.4919 ± 0.0007 Å
• c: 8.7196 ± 0.0009 Å
• α: 90°
• β: 90.947 ± 0.002°
• γ: 90°
• Cell volume: 969.09 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections: 0.1223
• Weighted residual factors for significantly intense reflections: 0.1196
• Goodness-of-fit parameter for all reflections: 1.116
• Goodness-of-fit parameter for significantly intense reflections: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No