Information card for entry 7709257

Structure parameters

• Formula: C48 H52 Au B3 Cl2 F12 Fe2 N4
• Calculated formula: C48 H52 Au B3 Cl2 F12 Fe2 N4
• SMILES: [Au](=C1N(C[c]23[cH]4[Fe]56789%102([cH]3[cH]%10[cH]48)[cH]2[cH]5[cH]9[cH]7[cH]62)C=CN1c1c(cc(cc1C)C)C)=C1N(C=CN1C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]7[cH]9[cH]8[cH]61)c1c(C)cc(cc1C)C.ClCCCl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Detailed structural and spectroscopic elucidation of ferrocenium coupled N-heterocyclic carbene gold(I) complexes.
• Authors of publication: Reinhard, Garrett L.; Jayaraman, Selvakumar; Prybil, Joshua W.; Arambula, Jonathan F.; Arumugam, Kuppuswamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 1533 - 1541
• a: 14.447 ± 0.002 Å
• b: 24.404 ± 0.004 Å
• c: 14.886 ± 0.002 Å
• α: 90°
• β: 99.088 ± 0.004°
• γ: 90°
• Cell volume: 5182.4 ± 1.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0437
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No