Information card for entry 4076513

Structure parameters

• Formula: C36 H32 Au2 Cl2 N2 P2
• Calculated formula: C36 H32 Au2 Cl2 N2 P2
• SMILES: c12c(cccc1c(ccc2)NC[P](c1ccccc1)([Au]Cl)c1ccccc1)NC[P](c1ccccc1)([Au]Cl)c1ccccc1
• 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: 9.6892 ± 0.0004 Å
• b: 14.2541 ± 0.0005 Å
• c: 12.314 ± 0.0005 Å
• α: 90°
• β: 105.922 ± 0.004°
• γ: 90°
• Cell volume: 1635.45 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No