Information card for entry 1558539

Structure parameters

• Formula: C136 H112 Au8 Fe4 P8
• Calculated formula: C136 H112 Au8 Fe4 P8
• SMILES: [Au]1234[Au]567[Au]89%101([Au]15([Au]5%118[Au]8%122691[Au]%105([Au]38[P](c1ccccc1)(c1ccccc1)[c]12[cH]3[cH]5[cH]6[cH]1[Fe]189%102356[cH]2[c]%10([cH]9[cH]8[cH]12)[P]%12(c1ccccc1)c1ccccc1)[P]([c]12[cH]3[cH]5[cH]6[cH]1[Fe]189%102356[c]2([cH]1[cH]8[cH]9[cH]%102)[P]%11(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P]([c]12[cH]3[cH]5[cH]6[cH]1[Fe]189%102356[c]2([cH]1[cH]8[cH]9[cH]%102)[P]7(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)[c]12[cH]3[cH]5[cH]6[cH]1[Fe]17892356[cH]2[cH]1[cH]7[cH]8[c]92[P]4(c1ccccc1)c1ccccc1
• Title of publication: An Au₈ Cluster Fortified by Four Ferrocenes.
• Authors of publication: Li, Shuo Hao; Liu, Xu; Hu, Weigang; Chen, Mingyang; Zhu, Yan
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2020
• Journal volume: 124
• Journal issue: 29
• Pages of publication: 6061 - 6067
• a: 16.136 ± 0.0011 Å
• b: 19.7871 ± 0.0013 Å
• c: 23.2458 ± 0.0014 Å
• α: 76.706 ± 0.003°
• β: 73.016 ± 0.003°
• γ: 80.103 ± 0.003°
• Cell volume: 6864.3 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.2014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No