Information card for entry 4087418

Structure parameters

• Formula: C23 H34 Fe N2 O4 Si
• Calculated formula: C23 H32 Fe N2 O4 Si
• SMILES: c12c3cccc1C1=[N]([C@H](CO1)C(C)C)[Fe]2(C#[O])(C#[O])([N]1=C3OC[C@@H]1C(C)C)[Si](C)(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: 10.3353 ± 0.0013 Å
• b: 12.4505 ± 0.0015 Å
• c: 18.766 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2414.8 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No