Information card for entry 7016146

Structure parameters

• Formula: C46 H41 B Cu F4 N3 O0 P2
• Calculated formula: C46 H41 B Cu F4 N3 P2
• Title of publication: Synthesis, structural characterization and luminescent properties of a series of Cu(i) complexes based on polyphosphine ligands.
• Authors of publication: Hou, Ruobing; Huang, Ting-Hong; Wang, Xiu-Jian; Jiang, Xuan-Feng; Ni, Qing-Ling; Gui, Liu-Cheng; Fan, You-Jun; Tan, Yi-Liang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 29
• Pages of publication: 7551 - 7558
• a: 14.871 ± 0.003 Å
• b: 14.472 ± 0.003 Å
• c: 19.411 ± 0.004 Å
• α: 90°
• β: 99.221 ± 0.003°
• γ: 90°
• Cell volume: 4123.5 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.0672
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No