Information card for entry 4063246

Structure parameters

• Formula: C24 H38 F6 Fe P4
• Calculated formula: C24 H38 F6 Fe P4
• SMILES: [Fe]123456([P@@]7(c8ccccc8)CCC[P@@H]1CC[P@@H]2[C@@H](C7)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].[Fe]123456([P@]7(c8ccccc8)CCC[P@H]1CC[P@H]2[C@H](C7)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and Characterization of Iron(II) Complexes of 10- and 11-Membered Triphosphamacrocycles
• Authors of publication: Andrew R. Battle; Peter G. Edwards; Robert Haigh; David E. Hibbs; Dongmei Li; Sam M. Liddiard; Paul D. Newman
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Pages of publication: 377 - 386
• a: 42.467 ± 0.006 Å
• b: 42.467 ± 0.006 Å
• c: 9.69 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15134 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2155
• Weighted residual factors for all reflections included in the refinement: 0.2286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No