Information card for entry 4322050

Structure parameters

• Formula: C28 H24 Br2 Cu2 N8 O2
• Calculated formula: C28 H20 Br2 Cu2 N8 O2
• SMILES: c1cccc2c3c4ncc[n]3[Cu]([n]12)(Br)[n]1c(c2c3c5cccc[n]5[Cu]([n]5c4cccc5)([n]3ccn2)Br)cccc1.O.O
• Title of publication: Solid State Coordination Chemistry of the Copper Halide- and Pseudo-Halide-Organoamine System, Cu-X-[(bis-2,3-(2-pyridyl)pyrazine)] (X = Cl, Br, CN): Hydrothermal Synthesis and Structural Characterization
• Authors of publication: Douglas J. Chesnut; Anakarin Kusnetzow; Robert R. Birge; Jon Zubieta
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2663 - 2671
• a: 7.795 ± 0.0001 Å
• b: 8.857 Å
• c: 11.1268 ± 0.0002 Å
• α: 72.2°
• β: 83.05 ± 0.001°
• γ: 73.832 ± 0.001°
• Cell volume: 701.954 ± 0.016 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No