Information card for entry 4322049

Structure parameters

• Formula: C14 H10 Cl3 Cu3 N4
• Calculated formula: C14 H10 Cl3 Cu3 N4
• 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: 18.6778 ± 0.0005 Å
• b: 5.1046 ± 0.0002 Å
• c: 16.6257 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1585.14 ± 0.08 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections: 0.1271
• Weighted residual factors for significantly intense reflections: 0.1158
• Goodness-of-fit parameter for all reflections: 1.159
• Goodness-of-fit parameter for significantly intense reflections: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No