Information card for entry 7239724

Structure parameters

• Chemical name: Gold(III) meso-(4-trifluoromethylphenyl)dipyrrin-bisphenolate
• Formula: C28 H16 Au F3 N2 O2
• Calculated formula: C28 H16 Au F3 N2 O2
• Title of publication: Gold dipyrrin-bisphenolates: a combined experimental and DFT study of metal‒ligand interactions
• Authors of publication: Thomas, Kolle E.; Desbois, Nicolas; Conradie, Jeanet; Teat, Simon J.; Gros, Claude P.; Ghosh, Abhik
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 533 - 540
• a: 6.8844 ± 0.0004 Å
• b: 16.4488 ± 0.0008 Å
• c: 19.824 ± 0.001 Å
• α: 90°
• β: 98.802 ± 0.002°
• γ: 90°
• Cell volume: 2218.4 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.332
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No