Information card for entry 4078294

Structure parameters

• Formula: C25 H25 Au Cl Fe O P
• Calculated formula: C25 H25 Au Cl Fe O P
• SMILES: [Au](Cl)[P]([c]12[Fe]3456789([c]1([cH]3[cH]4[cH]25)[C@@H](OC)C)[cH]1[cH]6[cH]7[cH]8[cH]91)(c1ccccc1)c1ccccc1
• Title of publication: Gold(I) Complexes of Conformationally Constricted Chiral Ferrocenyl Phosphines
• Authors of publication: Barreiro, Elena M.; Broggini, Diego F. D.; Adrio, Luis A.; White, Andrew J. P.; Schwenk, Rino; Togni, Antonio; Hii, King Kuok (Mimi)
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3745
• a: 11.18245 ± 0.00008 Å
• b: 12.26925 ± 0.00008 Å
• c: 17.17066 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2355.82 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No