Information card for entry 7105089

Structure parameters

• Formula: C40 H40 B Fe P
• Calculated formula: C40 H40 B Fe P
• SMILES: [Fe]12345678([c]9(B(c%10c(cc(cc%10C)C)C)c%10c(C)cc(cc%10C)C)[c]1([cH]2[cH]3[cH]49)P(c1ccccc1)c1ccccc1)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Facile syntheses of dissymmetric ferrocene-functionalized Lewis acids and acid‒base pairs
• Authors of publication: Ian R. Morgan; Angela Di Paolo; Dragoslav Vidovic; Ian A. Fallis; Simon Aldridge
• Journal of publication: Chem. Commun.
• Year of publication: 2009
• Pages of publication: 7288 - 7290
• a: 10.8437 ± 0.0003 Å
• b: 11.0155 ± 0.0003 Å
• c: 13.9298 ± 0.0004 Å
• α: 103.678 ± 0.0011°
• β: 98.4755 ± 0.0011°
• γ: 95.9081 ± 0.0011°
• Cell volume: 1582.54 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections: 0.1057
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No