Information card for entry 7042819

Structure parameters

• Formula: C24 H27 B Cl Fe P Sn
• Calculated formula: C24 H27 B Cl Fe P Sn
• SMILES: [Sn](Cl)([c]12[cH]3[Fe]4567891([c]2([P]([BH3])(c1ccccc1)c1ccccc1)[cH]4[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91)(C)C
• Title of publication: Planar-chiral ferrocenylphosphine-borane complexes featuring agostic-type B‒H⋯E (E = Hg, Sn) interactions
• Authors of publication: Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, F.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 7.3385 ± 0.0002 Å
• b: 16.5867 ± 0.0004 Å
• c: 19.1137 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2326.55 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0185
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections included in the refinement: 0.0385
• 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