Information card for entry 4339411

Structure parameters

• Formula: C23 H37 B F2 Fe K O6.5
• Calculated formula: C23 H37 B F2 Fe K O6.5
• SMILES: [B]1([c]23[Fe]456789%10([cH]3[cH]5[cH]6[cH]24)[cH]2[cH]8[cH]9[cH]%10[cH]72)([F][K]23456([O]7CC[O]3CC[O]4CC[O]5CC[O]6CC[O]2CC7)[F]1)C.O
• 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: 30.9945 ± 0.0003 Å
• b: 8.4549 ± 0.0001 Å
• c: 19.7835 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5184.37 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No