Information card for entry 7050265

Structure parameters

• Formula: C12 H8 Br2 Cu I0 N2
• Calculated formula: C12 H8 Br2 Cu N2
• Title of publication: Syntheses, Characterization and Optical Properties of Some Copper(I) Halides with 1,10-Phenanthroline Ligand
• Authors of publication: Xu Ji-Qing; Hai-Ying Bie; Jing Lu; Jie-Hui Yu; Xiao Zhang
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 9.945 ± 0.002 Å
• b: 6.5064 ± 0.0013 Å
• c: 18.222 ± 0.004 Å
• α: 90°
• β: 91.23 ± 0.03°
• γ: 90°
• Cell volume: 1178.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0479
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No