Information card for entry 4078295

Structure parameters

• Formula: C31 H37 Au Cl Fe2 P
• Calculated formula: C31 H37 Au Cl Fe2 P
• SMILES: [Au](Cl)[P]1([C@@H]([c]23[Fe]456789%10([c]2([cH]6[cH]5[cH]34)C[c]23[c]4([Fe]56%11%12%13%142([cH]4[cH]5[cH]36)[cH]2[cH]%11[cH]%12[cH]%13[cH]%142)[C@H]1C)[cH]1[cH]%10[cH]9[cH]8[cH]71)C)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: 7.21077 ± 0.00017 Å
• b: 18.2833 ± 0.0004 Å
• c: 20.809 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2743.39 ± 0.11 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0285
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0326
• Weighted residual factors for all reflections included in the refinement: 0.0332
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No