Information card for entry 4076514

Structure parameters

• Formula: C64 H58 Au4 Cl8 N2 P4
• Calculated formula: C64 H58 Au4 Cl8 N2 P4
• SMILES: c12cccc(c2cccc1N(C[P]([Au]Cl)(c1ccccc1)c1ccccc1)C[P]([Au]Cl)(c1ccccc1)c1ccccc1)N(C[P](c1ccccc1)([Au]Cl)c1ccccc1)C[P]([Au]Cl)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Gold(I) Chloride Complexes of Polyphosphine Ligands with Electron-Rich Arene Spacer: Gold‒Arene Interactions
• Authors of publication: Ni, Qing-Ling; Jiang, Xuan-Feng; Huang, Ting-Hong; Wang, Xiu-Jian; Gui, Liu-Cheng; Yang, Kun-Guo
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 2343
• a: 9.8229 ± 0.0018 Å
• b: 11.518 ± 0.002 Å
• c: 15.667 ± 0.003 Å
• α: 69.607 ± 0.003°
• β: 82.607 ± 0.003°
• γ: 72.291 ± 0.003°
• Cell volume: 1582.2 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No