Information card for entry 7003545

Structure parameters

• Formula: C18 H25 Cl2 Fe N2 O2 P
• Calculated formula: C18 H25 Cl2 Fe N2 O2 P
• SMILES: [Fe]1(Cl)(Cl)[N]2=C(OCC2(C)C)CP(c2ccccc2)CC2OCC([N]1=2)(C)C
• Title of publication: Contrasting bonding modes of a tridentate bis(oxazoline)phosphine ligand in cobalt and iron vs. palladium complexes: unprecedented N,N-coordination for a N,P,N ligand
• Authors of publication: Kermagoret, Anthony; Braunstein, Pierre
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 5
• Pages of publication: 585 - 587
• a: 12.724 ± 0.0013 Å
• b: 12.319 ± 0.0015 Å
• c: 15.525 ± 0.0019 Å
• α: 90°
• β: 113.772 ± 0.005°
• γ: 90°
• Cell volume: 2227 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0834
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No