Information card for entry 4344732

Structure parameters

• Formula: C40 H39 Br2 Fe P3 Si
• Calculated formula: C40 H39 Br2 Fe P3 Si
• SMILES: Br[Fe]1(Br)[P](C[Si](C[P]1(c1ccccc1)c1ccccc1)(CP(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1
• 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: 9.4197 ± 0.0003 Å
• b: 9.4229 ± 0.0003 Å
• c: 12.7283 ± 0.0003 Å
• α: 110.289 ± 0.003°
• β: 93.258 ± 0.002°
• γ: 112.426 ± 0.003°
• Cell volume: 955.95 ± 0.06 ų
• Cell temperature: 104.7 ± 1 K
• Ambient diffraction temperature: 104.7 ± 1 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: 0.0199
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No