Information card for entry 7227832

Structure parameters

• Common name: (Dipp-BIANMe)FeCl2
• Formula: C57 H50 Cl2 Fe N2
• Calculated formula: C57 H50 Cl2 Fe N2
• SMILES: [Fe]1(Cl)(Cl)[N](=C2C(=[N]1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)c1cccc3cccc2c13)c1c(cccc1C(C)C)C(C)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: 10.5987 ± 0.0003 Å
• b: 12.0841 ± 0.0003 Å
• c: 18.4864 ± 0.0005 Å
• α: 98.172 ± 0.002°
• β: 99.125 ± 0.002°
• γ: 99.657 ± 0.002°
• Cell volume: 2269.67 ± 0.11 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No