Information card for entry 7709255

Structure parameters

• Formula: C46 H48 Au B F4 Fe2 N4
• Calculated formula: C46 H48 Au B F4 Fe2 N4
• SMILES: [Au](=C1N(C=CN1C[c]12[cH]3[Fe]4567891([cH]3[cH]5[cH]24)[cH]1[cH]7[cH]9[cH]8[cH]61)c1c(cc(cc1C)C)C)=C1N(c2c(cc(cc2C)C)C)C=CN1C[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]7[cH]9[cH]8[cH]61.[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: 11.798 ± 0.002 Å
• b: 23.649 ± 0.004 Å
• c: 15.577 ± 0.003 Å
• α: 90°
• β: 94.344 ± 0.005°
• γ: 90°
• Cell volume: 4333.7 ± 1.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 7
• 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: 0.0571
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0561
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No