Information card for entry 7227837

Structure parameters

• Common name: (Dipp-BIANCl)FeCl2
• Formula: C60 H55 Cl3 Fe N2 O
• Calculated formula: C60 H55 Cl3 Fe N2 O
• SMILES: [Fe]1(Cl)(Cl)[N](=C2C(=[N]1c1c(C(C)C)cccc1C(C)C)c1c3c2cccc3ccc1)c1c(cc(Cl)cc1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.O1CCCC1
• 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: 10.51517 ± 0.00014 Å
• b: 18.6075 ± 0.0003 Å
• c: 26.0044 ± 0.0003 Å
• α: 90°
• β: 96.4438 ± 0.0011°
• γ: 90°
• Cell volume: 5055.9 ± 0.12 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0519
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No