Information card for entry 4339408

Structure parameters

• Formula: C29 H49 B F3 Fe K O7 Sn
• Calculated formula: C29 H49 B F3 Fe K O7 Sn
• SMILES: [Sn]([c]12[Fe]3456789([cH]([c]24[B]2([F][K]4%10%11%12%13([O]%14CC[O]%13CC[O]%11CC[O]%12CC[O]%10CC[O]4CC%14)([O]%10CCCC%10)[F]2)C)[cH]5[cH]13)[cH]1[cH]9[cH]6[cH]8[cH]71)(C)(C)F
• 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: 10.3893 ± 0.0004 Å
• b: 17.4752 ± 0.0007 Å
• c: 19.3552 ± 0.0007 Å
• α: 90°
• β: 101.217 ± 0.001°
• γ: 90°
• Cell volume: 3446.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No