Information card for entry 4320640

Structure parameters

• Formula: C15 H21 Br7 Cu N9
• Calculated formula: C15 H21 Br7 Cu N9
• SMILES: [Cu](Br)(Br)([Br])[Br-].Brc1c([nH+]c(N)cc1)N.Brc1c([nH+]c(N)cc1)N.Brc1c([nH+]c(N)cc1)N
• 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: 8.1793 ± 0.0006 Å
• b: 24.347 ± 0.002 Å
• c: 13.7606 ± 0.0009 Å
• α: 90°
• β: 101.907 ± 0.001°
• γ: 90°
• Cell volume: 2681.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections: 0.1281
• Weighted residual factors for significantly intense reflections: 0.1179
• Goodness-of-fit parameter for all reflections: 1.123
• Goodness-of-fit parameter for significantly intense reflections: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No