Information card for entry 4344736

Structure parameters

• Formula: C51 H54 Cl6 Fe3 N5 P3
• Calculated formula: C51 H54 Cl6 Fe3 N5 P3
• 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: 13.1885 ± 0.001 Å
• b: 14.8199 ± 0.0012 Å
• c: 28.7052 ± 0.0019 Å
• α: 90°
• β: 89.866 ± 0.004°
• γ: 90°
• Cell volume: 5610.5 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.0585
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0328
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No