Information card for entry 4071083

Structure parameters

• Formula: C14 H8 F12 Fe P2
• Calculated formula: C14 H8 F12 Fe P2
• SMILES: C(F)(F)(F)P([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)P(C(F)(F)F)C(F)(F)F)C(F)(F)F
• Title of publication: Synthesis, Structure, and Coordination Properties of 1,1′-Bis(bis(trifluoromethyl)phosphino)ferrocene, dfmpf
• Authors of publication: Velazco, Euclides J.; Caffyn, Andrew J. M.; Le Goff, Xavier F.; Ricard, Louis
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2402
• a: 17.536 ± 0.001 Å
• b: 9.85 ± 0.001 Å
• c: 12.428 ± 0.001 Å
• α: 90°
• β: 125.65 ± 0.001°
• γ: 90°
• Cell volume: 1744.4 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No