Information card for entry 4126841

Structure parameters

• Formula: C25 H24 Fe P2
• Calculated formula: C25 H24 Fe P2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)P1P(c2ccc3c4c(ccc1c24)CC3)C(C)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Dealkanative Main Group Couplings Across the peri-Gap.
• Authors of publication: Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 9.913 ± 0.006 Å
• b: 10.208 ± 0.005 Å
• c: 12.305 ± 0.007 Å
• α: 95.38 ± 0.04°
• β: 106.68 ± 0.03°
• γ: 117 ± 0.04°
• Cell volume: 1025.5 ± 1.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No