Information card for entry 7706311

Structure parameters

• Formula: C93 H97 Au F3 Fe3 O8 P3 S
• Calculated formula: C93 H97 Au F3 Fe3 O8 P3 S
• SMILES: c1ccccc1P([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]6[c]1(c1cc3cc([c]45[cH]6[cH]9[cH]%10[cH]4[Fe]4%11%12%13569%10[cH]5[cH]%11[cH]%13[cH]%12[c]45[P](c4ccccc4)(c4ccccc4)[Au][P](c4ccccc4)(c4ccccc4)[c]45[cH]6[cH]9[cH]%10[cH]4[Fe]4%11%12%13569%10[cH]5[cH]%11[cH]%13[cH]%12[c]345)c1)[cH]7[cH]82)c1ccccc1.C1CCCO1.C1CCOC1.C1CCCO1.C1COCC1.C1CCCO1.C(F)(F)(F)S(=O)(=O)[O-]
• 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: 23.1998 ± 0.0004 Å
• b: 16.4337 ± 0.0002 Å
• c: 23.6527 ± 0.0003 Å
• α: 90°
• β: 107.834 ± 0.002°
• γ: 90°
• Cell volume: 8584.5 ± 0.2 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 8
• 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: 0.0743
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No