Information card for entry 4332321

Structure parameters

• Formula: C20.8 H18.4 B0.4 Cu0.8 F1.6 I0.4 N3.2 O0.4
• Calculated formula: C19 H10 B0.4 Cu0.8 F1.6 I0.4 N3.2 O0.4
• Title of publication: Dinuclear Cu(I) Complexes of 1,2,4,5-Tetra(7-azaindolyl)benzene: Persistent 3-Coordinate Geometry, Luminescence, and Reactivity
• Authors of publication: Zhao, Shu-Bin; Wang, Rui-Yao; Wang, Suning
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 5830 - 5840
• a: 24.954 ± 0.005 Å
• b: 14.712 ± 0.003 Å
• c: 14.377 ± 0.003 Å
• α: 90°
• β: 112.475 ± 0.003°
• γ: 90°
• Cell volume: 4877.2 ± 1.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.3546
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.2516
• Weighted residual factors for all reflections included in the refinement: 0.3296
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No