Information card for entry 4087416

Structure parameters

• Formula: C21 H28 Fe N2 O4 Sn
• Calculated formula: C21 H28 Fe N2 O4 Sn
• SMILES: c12c3cccc2C2=[N]([Fe]1([N]1=C3OCC1(C)C)(C#[O])(C#[O])[Sn](C)(C)C)C(CO2)(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: 8.624 ± 0.0004 Å
• b: 12.4051 ± 0.0006 Å
• c: 10.7526 ± 0.0006 Å
• α: 90°
• β: 97.865 ± 0.001°
• γ: 90°
• Cell volume: 1139.51 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No