Information card for entry 4078292

Structure parameters

• Formula: C31 H40 B Fe2 P
• Calculated formula: C31 H40 B Fe2 P
• SMILES: [Fe]12345678([c]9%10[c]1([cH]2[cH]3[cH]49)[C@H]([P]([C@H](C)[c]12[c]3([Fe]49%11%12%13%141([cH]2[cH]4[cH]39)[cH]1[cH]%14[cH]%13[cH]%12[cH]%111)C%10)(C1CCCCC1)[BH3])C)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 12.9833 ± 0.0002 Å
• b: 18.9236 ± 0.0003 Å
• c: 22.7786 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5596.49 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0632
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No