Information card for entry 7706314

Structure parameters

• Formula: C153 H122 Au3 F6 Fe6 N0 O6 P6 S2
• Calculated formula: C151 H122 Au3 Fe6 P6
• SMILES: [cH]12[c]34c5cc(cc(c5)[c]56[cH]7[cH]8[cH]9[cH]5[Fe]5%10%11%126789[cH]6[c]%10([cH]5[cH]%12[cH]%116)[P](c5ccccc5)(c5ccccc5)[Au][P]([c]56[cH]7[cH]8[cH]9[cH]5[Fe]5%10246789[cH]([cH]15)[cH]3%10)(c1ccccc1)c1ccccc1)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]6[cH]8[cH]1[cH]72)[P](c1ccccc1)(c1ccccc1)[Au][P](c1ccccc1)([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]7[cH]8[cH]6[cH]12)c1cc2cc([c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[c]4([cH]3[cH]8[cH]9[cH]%104)[P](c3ccccc3)(c3ccccc3)[Au][P](c3ccccc3)([c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[c]42[cH]3[cH]%10[cH]9[cH]84)c2ccccc2)c1)c1ccccc1.c1ccc(cc1)C
• Title of publication: The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes.
• Authors of publication: Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16667 - 16682
• a: 12.6182 ± 0.0002 Å
• b: 23.5315 ± 0.0004 Å
• c: 27.2516 ± 0.0007 Å
• α: 69.34 ± 0.002°
• β: 83.591 ± 0.002°
• γ: 88.26 ± 0.001°
• Cell volume: 7523.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1062
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No