Information card for entry 4344737

Structure parameters

• Formula: C40 H39 Cl2 Fe P3 Si
• Calculated formula: C40 H39 Cl2 Fe P3 Si
• SMILES: [Fe]1([P](C[Si](C[P]1(c1ccccc1)c1ccccc1)(CP(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)(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: 9.341 ± 0.007 Å
• b: 9.463 ± 0.007 Å
• c: 12.799 ± 0.009 Å
• α: 93.56 ± 0.008°
• β: 109.985 ± 0.007°
• γ: 112.137 ± 0.0011°
• Cell volume: 960.9 ± 1.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9599
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No