Information card for entry 4063247

Structure parameters

• Formula: C25 H36 F6 Fe P4
• Calculated formula: C25 H36 F6 Fe P4
• SMILES: [Fe]123456([P]7(CCC[P]1(CC[P]2(CCC7)CC=C)CC=C)c1ccccc1)[cH]1[cH]3[cH]4[cH]5[cH]61.[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: 9.031 ± 0.0002 Å
• b: 15.233 ± 0.0003 Å
• c: 19.733 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2714.65 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No