Information card for entry 7227835

Structure parameters

• Common name: (Mes-BIANF)FeCl2
• Formula: C53 H41 Cl2 F Fe N2
• Calculated formula: C53 H41 Cl2 F Fe N2
• SMILES: [Fe]1(Cl)(Cl)[N](c2c(C(c3ccccc3)c3ccccc3)cc(F)cc2C(c2ccccc2)c2ccccc2)=C2C(c3c4c2cccc4ccc3)=[N]1c1c(C)cc(cc1C)C
• Title of publication: Ferrous complexes supported by sterically encumbered asymmetric bis(arylimino)acenaphthene (BIAN) ligands: synthesis, characterization and screening for catalytic hydrosilylation of carbonyl compounds
• Authors of publication: Yu, Xun; Zhu, Feifeng; Bu, Donglei; Lei, Hao
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 25
• Pages of publication: 15321
• a: 13.87969 ± 0.00013 Å
• b: 16.89054 ± 0.00015 Å
• c: 18.35276 ± 0.00016 Å
• α: 90°
• β: 103.305 ± 0.0009°
• γ: 90°
• Cell volume: 4187.06 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0423
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No