Information card for entry 4071084

Structure parameters

• Formula: C14 H8 Cl2 F12 Fe P2 Pt
• Calculated formula: C14 H8 Cl2 F12 Fe P2 Pt
• SMILES: [Pt]1(Cl)(Cl)[P](C(F)(F)F)(C(F)(F)F)[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[cH]2[cH]7[cH]8[cH]9[c]%102[P]1(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: 9.661 ± 0.001 Å
• b: 13.369 ± 0.001 Å
• c: 17.265 ± 0.001 Å
• α: 90°
• β: 114.609 ± 0.001°
• γ: 90°
• Cell volume: 2027.4 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0317
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No