Information card for entry 7053727

Structure parameters

• Common name: UH123
• Formula: C23 H23 B F4 Fe N2
• Calculated formula: C23 H23 B F4 Fe N2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)c1ccc([n+]2cn(cc2)C/C=C/C)cc1)[cH]1[cH]8[cH]7[cH]6[cH]51.[B](F)(F)(F)[F-]
• Title of publication: A cytotoxic bis(carbene)gold(i) complex of ferrocenyl complexes: synthesis and structural characterisation
• Authors of publication: Horvath, Ulrike E. I.; Bentivoglio, Gino; Hummel, Michael; Schottenberger, Herwig; Wurst, Klaus; Nell, Margo J.; van Rensburg, Constance E. J.; Cronje, Stephanie; Raubenheimer, Helgard G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 533
• a: 9.891 ± 0.0015 Å
• b: 18.733 ± 0.003 Å
• c: 11.4611 ± 0.0019 Å
• α: 90°
• β: 99.699 ± 0.003°
• γ: 90°
• Cell volume: 2093.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.079
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No