Information card for entry 7713579

Structure parameters

• Formula: C41 H40 Cl2 Fe N2 O P2
• Calculated formula: C41 H40 Cl2 Fe N2 O P2
• SMILES: [Fe]1(Cl)(Cl)[N](=P(c2ccccc2)(c2ccccc2)c2ccccc2)Cc2[n]1c(ccc2)CP(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: FeII complexes supported by an Iminophosphorane ligand: Synthesis and Reactivity
• Authors of publication: Tannoux, Thibault; Mazaud, Louis; Cheisson, Thibault; Casaretto, Nicolas; Auffrant, Audrey
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 15.495 ± 0.0018 Å
• b: 15.9446 ± 0.0019 Å
• c: 16.3447 ± 0.0018 Å
• α: 90°
• β: 111.904 ± 0.003°
• γ: 90°
• Cell volume: 3746.6 ± 0.8 ų
• Cell temperature: 150.01 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 7
• 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: 0.0993
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No