Information card for entry 7045040

Structure parameters

• Formula: C212 H220 Au12 B2 Cl8 O12 P10 S4 Si8
• Calculated formula: C212 H220 Au12 B2 Cl8 O12 P10 S4 Si8
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[P]1(c2ccccc2)[Au]2[S]3[Au]45[Au]([P](c6ccccc6)([Au][S]6[Au]7[P](c8ccccc8)(c8ccccc8)c8c(O[Si](C)(C)C)oc(O[Si](C)(C)C)c8[P]([Au]7[S]7[Au]8[P](c9ccccc9)(c9ccccc9)c9c(O[Si](C)(C)C)oc(O[Si](C)(C)C)c9[P]([Au]68[Au]7[P]([Au]3)(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc3)[S]([Au]2[P](c2c1c(O[Si](C)(C)C)oc2O[Si](C)(C)C)(c1ccccc1)c1ccccc1)[Au]5[P](c1ccccc1)(c1ccccc1)c1c(O[Si](C)(C)C)oc(O[Si](C)(C)C)c1[P]4(c1ccccc1)c1ccccc1.ClCCl.ClCCl.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl
• Title of publication: [Au₁₂(PPh₂)₂S₄(L2)₄]²⁺ (L2 = 3,4-bis(diphenylphosphino)-2,5-bis(trimethylsilyloxy)furan): an Au₁₂ unit protected by modified maleic anhydride phosphine ligands.
• Authors of publication: Yu, Wen; Wang, Yingxia; Fuhr, Olaf; Fenske, Dieter; Dehnen, Stefanie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1032 - 1035
• a: 14.0681 ± 0.0003 Å
• b: 19.0681 ± 0.0004 Å
• c: 25.8449 ± 0.0006 Å
• α: 69.532 ± 0.002°
• β: 76.667 ± 0.002°
• γ: 75.97 ± 0.02°
• Cell volume: 6219.8 ± 0.5 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No