Information card for entry 4322052

Structure parameters

• Formula: C17 H10 Cu3 N7
• Calculated formula: C17 H10 Cu3 N7
• 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: 12.8549 ± 0.0002 Å
• b: 9.0875 ± 0.0001 Å
• c: 16.0023 ± 0.0002 Å
• α: 90°
• β: 110.476 ± 0.001°
• γ: 90°
• Cell volume: 1751.26 ± 0.04 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No