Information card for entry 7227834

Structure parameters

• Common name: (Mes-BIANCl)FeCl2
• Formula: C57 H49 Cl3 Fe N2 O
• Calculated formula: C57 H49 Cl3 Fe N2 O
• SMILES: [Fe]1(Cl)(Cl)([N](=C2C(=[N]1c1c(C(c3ccccc3)c3ccccc3)cc(Cl)cc1C(c1ccccc1)c1ccccc1)c1cccc3c1c2ccc3)c1c(cc(cc1C)C)C)[O]1CCCC1
• 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: 19.01587 ± 0.00018 Å
• b: 14.80189 ± 0.00015 Å
• c: 16.80964 ± 0.00017 Å
• α: 90°
• β: 103.52 ± 0.001°
• γ: 90°
• Cell volume: 4600.3 ± 0.08 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1957
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No