Information card for entry 7705706

Structure parameters

• Formula: C98 H84 Au2 N2 O2
• Calculated formula: C98 H84 Au2 N2 O2
• Title of publication: A polymorphic pentiptycene-containing gold(I) isocyanide complex: solvent- and conformation-dependent supramolecular luminescence.
• Authors of publication: Hsu, Ying-Feng; Chen, Ssu-Ying; Maity, Subhendu; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 44
• Pages of publication: 15602 - 15606
• a: 11.8805 ± 0.0005 Å
• b: 33.876 ± 0.003 Å
• c: 9.5447 ± 0.0004 Å
• α: 90°
• β: 105.559 ± 0.005°
• γ: 90°
• Cell volume: 3700.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1789
• Residual factor for significantly intense reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.2536
• Weighted residual factors for all reflections included in the refinement: 0.2985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No