Information card for entry 4339409

Structure parameters

• Formula: C35 H54 B Cl F Fe K O7 Sn
• Calculated formula: C35 H54 B Cl F Fe K O7 Sn
• SMILES: [Sn]1(C)(C)([F][B]([c]23[c]41[Fe]1567892([cH]3[cH]6[cH]47)[cH]2[cH]8[cH]1[cH]5[cH]92)(c1ccccc1)C)[Cl][K]12345([O]6CC[O]3CC[O]5CC[O]2CC[O]1CC[O]4CC6)[O]1CCCC1
• 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: 8.6339 ± 0.0001 Å
• b: 29.1021 ± 0.0005 Å
• c: 16.0961 ± 0.0003 Å
• α: 90°
• β: 104.561 ± 0.001°
• γ: 90°
• Cell volume: 3914.48 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0336
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No