Information card for entry 7062752

Structure parameters

• Formula: C43.25 H38.5 Au Cl0.5 F3 N O4 P S
• Calculated formula: C43.25 H38.5 Au Cl0.5 F3 N O4 P S
• Title of publication: Gold(i) complexes with redox active BIAN and MIAN ligands: synthesis, structure and electrochemistry
• Authors of publication: Bardina, Elena E.; Shmelev, Nikita Y.; Albrekht, Yana N.; Koon, Winnie Ka Yiu; Abramov, Pavel A.; Mirzaeva, Irina V.; Sheven’, Dmitriy G.; Makotchenko, Evgeniya V.; Fomenko, Iakov S.; Lukoyanov, Anton N.; Sokolov, Maxim N.; Babak, Maria V.; Gushchin, Artem L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 18251 - 18259
• a: 8.7066 ± 0.0004 Å
• b: 15.2314 ± 0.001 Å
• c: 34.7368 ± 0.0017 Å
• α: 90°
• β: 95.214 ± 0.002°
• γ: 90°
• Cell volume: 4587.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No