Information card for entry 4332319

Structure parameters

• Formula: C74 H60 B2 Cl8 Cu2 F8 N8 P2
• Calculated formula: C74 H60 B2 Cl8 Cu2 F8 N8 P2
• SMILES: [B](F)(F)(F)[F-].[cH]12[Cu]3([n]4cccc5ccn(c1c1[cH]6c(c2n2c7[n]3cccc7cc2)n2ccc3ccc[n](c23)[Cu]6([n]2cccc3ccn1c23)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c45)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• 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: 12.323 ± 0.004 Å
• b: 13.386 ± 0.004 Å
• c: 13.496 ± 0.004 Å
• α: 93.117 ± 0.006°
• β: 102.741 ± 0.005°
• γ: 116.504 ± 0.005°
• Cell volume: 1913.2 ± 1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.2303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No