Information card for entry 4344735

Structure parameters

• Formula: C50 H56 B2 F8 Fe N3 O P3 Si
• Calculated formula: C50 H56 B2 F8 Fe N3 O P3 Si
• 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: 13.1059 ± 0.0011 Å
• b: 15.7016 ± 0.0009 Å
• c: 26.135 ± 0.002 Å
• α: 90°
• β: 102.265 ± 0.004°
• γ: 90°
• Cell volume: 5255.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• 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: 0.0898
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No