Information card for entry 4087420

Structure parameters

• Formula: C24 H24 Fe N2 O4
• Calculated formula: C24 H24 Fe N2 O4
• SMILES: c12c3cccc1C1=[N](C(CO1)(C)C)[Fe]2(c1ccccc1)(C#[O])(C#[O])[N]1=C3OCC1(C)C
• Title of publication: Preparation, Characterization, and Catalytic Reactions of NCN Pincer Iron Complexes Containing Stannyl, Silyl, Methyl, and Phenyl Ligands
• Authors of publication: Ito, Jun-ichi; Hosokawa, Satomi; Khalid, Hairuzana Binti; Nishiyama, Hisao
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1377
• a: 14.228 ± 0.004 Å
• b: 9.874 ± 0.003 Å
• c: 16.338 ± 0.004 Å
• α: 90°
• β: 110.87 ± 0.004°
• γ: 90°
• Cell volume: 2144.7 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.048
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No