Information card for entry 7114893

Structure parameters

• Formula: C48 H58 N4 Zn2
• Calculated formula: C48 H58 N4 Zn2
• SMILES: C1(=CC(C)=[N]([Zn]23([H][Zn]43(N(C(=CC(=[N]4c3c(cccc3C)C)C)C)c3c(cccc3C)C)[H]2)N1c1c(cccc1C)C)c1c(cccc1C)C)C.c1ccccc1
• Title of publication: Syntheses and structures of the first examples of zinc compounds with bridging fluorine and hydrogen atoms
• Authors of publication: Hao, Haijun; Cui, Chunming; Roesky, Herbert W.; Bai, Guangcai; Schmidt, Hans-Georg; Noltemeyer, Mathias
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 12
• Pages of publication: 1118
• a: 16.941 ± 0.005 Å
• b: 20.576 ± 0.003 Å
• c: 24.918 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8686 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No