Information card for entry 7201936

Structure parameters

• Formula: C50 H48 B Cu F4 N4 O P2
• Calculated formula: C50 H48 B Cu F4 N4 O P2
• Title of publication: π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles
• Authors of publication: Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 1003
• a: 14.2741 ± 0.0002 Å
• b: 16.3621 ± 0.0002 Å
• c: 19.4747 ± 0.0002 Å
• α: 90°
• β: 94.458 ± 0.001°
• γ: 90°
• Cell volume: 4534.64 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.2573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No