Information card for entry 4319099

Structure parameters

• Formula: C4 H4 Br2 Cu2 N2
• Calculated formula: C4 H4 Br2 Cu2 N2
• Title of publication: Hydrothermal Syntheses, Structures, and Properties of [Cu3Cl2CN(pyrazine)] and Copper(I) Halide Pyrazine Polymers
• Authors of publication: Nicole S. Persky; Jessica M. Chow; Karalee A. Poschmann; Nanette N. Lacuesta; Sarah L. Stoll; Simon G. Bott; Steven Obrey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 29 - 35
• a: 6.9671 ± 0.0014 Å
• b: 7.849 ± 0.002 Å
• c: 8.099 ± 0.002 Å
• α: 71.69 ± 0.03°
• β: 70.71 ± 0.03°
• γ: 85.43 ± 0.03°
• Cell volume: 396.72 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0947
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections: 0.2678
• Weighted residual factors for significantly intense reflections: 0.2048
• Goodness-of-fit parameter for all reflections: 0.903
• Goodness-of-fit parameter for significantly intense reflections: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No