Information card for entry 7247090

Structure parameters

• Formula: C60 H60 Au2 Cl4 N4 O4
• Calculated formula: C60 H60 Au2 Cl4 N4 O4
• Title of publication: Noncovalent interactions in gold(iii) tetrakis(4-butoxyphenyl)porphyrinate structures
• Authors of publication: Bardina, Elena E.; Makotchenko, Eugeniya V.; Birin, Kirill P.; Baidina, Iraida A.; Sukhikh, Taisiya S.; Novikov, Alexander S.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Gushchin, Artem L.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 33
• Pages of publication: 4755 - 4767
• a: 16.7951 ± 0.0017 Å
• b: 17.6474 ± 0.0017 Å
• c: 19.8427 ± 0.0018 Å
• α: 77.941 ± 0.003°
• β: 82.828 ± 0.003°
• γ: 75.258 ± 0.003°
• Cell volume: 5546.1 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No