Information card for entry 4089478

Structure parameters

• Formula: C28 H32 Fe P2
• Calculated formula: C28 H32 Fe P2
• SMILES: [Fe]12345678([c]9(Pc%10ccc%11c%12c(ccc(P(C(C)C)C(C)C)c%10%12)CC%11)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: peri-Substituted Phosphino-Phosphonium Salts: Synthesis and Reactivity
• Authors of publication: Ray, Matthew J.; Slawin, Alexandra M. Z.; Bühl, Michael; Kilian, Petr
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 12
• Pages of publication: 3481
• a: 42.31 ± 0.02 Å
• b: 5.891 ± 0.003 Å
• c: 21.416 ± 0.009 Å
• α: 90°
• β: 120.118 ± 0.009°
• γ: 90°
• Cell volume: 4617 ± 4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No