Information card for entry 4063245

Structure parameters

• Formula: C21 H42 F6 Fe P4 Si
• Calculated formula: C21 H42 F6 Fe P4 Si
• SMILES: [Fe]123456([P]7(CC[P]1(CC[P]2(CCC7)CC)CC)CC)[c]1([Si](C)(C)C)[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: 10.9946 ± 0.0005 Å
• b: 16.3024 ± 0.0007 Å
• c: 16.053 ± 0.0007 Å
• α: 90°
• β: 102.311 ± 0.002°
• γ: 90°
• Cell volume: 2811.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No