Information card for entry 4344733

Structure parameters

• Formula: C41 H39 Cl2 Fe P3
• Calculated formula: C41 H39 Cl2 Fe P3
• SMILES: [Fe]1([P](c2ccccc2)(c2ccccc2)CC(CP(c2ccccc2)c2ccccc2)(C[P]1(c1ccccc1)c1ccccc1)C)(Cl)Cl
• Title of publication: Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.
• Authors of publication: Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 1183 - 1191
• a: 9.286 ± 0.01 Å
• b: 9.318 ± 0.01 Å
• c: 12.642 ± 0.013 Å
• α: 94.8155 ± 0.0018°
• β: 109.849 ± 0.008°
• γ: 110.022 ± 0.014°
• Cell volume: 941.6 ± 1.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8984
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No