Information card for entry 4064448

Structure parameters

• Formula: C50 H32 B F10 N3 P2
• Calculated formula: C50 H32 B F10 N3 P2
• SMILES: P1(=[N]([B](NC(=C1P(c1ccccc1)c1ccccc1)Nc1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Reactions of Topologically Related “nacnacH-CN” and “P-nacnacH-CN” Chelate Ligand Systems with HB(C6F5)2
• Authors of publication: Spannhoff, Kirsten; Rojas, Rene; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2377
• a: 10.4591 ± 0.0004 Å
• b: 11.6827 ± 0.0004 Å
• c: 19.1693 ± 0.0009 Å
• α: 101.833 ± 0.002°
• β: 105.781 ± 0.004°
• γ: 99.151 ± 0.003°
• Cell volume: 2147.98 ± 0.16 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No