Information card for entry 4339412

Structure parameters

• Formula: C29 H41 B F Fe K O6
• Calculated formula: C29 H41 B F Fe K O6
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)[B]([F][K]12349[O]%10CC[O]1CC[O]2CC[O]3CC[O]4CC[O]9CC%10)(c1ccccc1)C)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Simultaneous fluoride binding to ferrocene-based heteronuclear bidentate Lewis acids.
• Authors of publication: Boshra, Ramez; Venkatasubbaiah, Krishnan; Doshi, Ami; Lalancette, Roger A.; Kakalis, Lazaros; Jäkle, Frieder
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 10174 - 10186
• a: 8.5654 ± 0.0003 Å
• b: 15.0371 ± 0.0005 Å
• c: 23.227 ± 0.0007 Å
• α: 90°
• β: 98.132 ± 0.002°
• γ: 90°
• Cell volume: 2961.53 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0474
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No