Information card for entry 4134579

Structure parameters

• Formula: C83.5 H34.47 Au F30 N6 O Pd
• Calculated formula: C83.5 H34.472 Au F30 N6 O Pd
• Title of publication: Synthesis of a Black Dye with Absorption Capabilities Across the Visible-to-Near-Infrared Region: A MO-Mixing Approach via Heterometal Coordination of Expanded Porphyrinoid.
• Authors of publication: Wang, Yue; Kai, Hiroto; Ishida, Masatoshi; Gokulnath, Sabapathi; Mori, Shigeki; Murayama, Tomotaka; Muranaka, Atsuya; Uchiyama, Masanobu; Yasutake, Yuhsuke; Fukatsu, Susumu; Notsuka, Yusuke; Yamaoka, Yoshihisa; Hanafusa, Mamiko; Yoshizawa, Michito; Kim, Gakhyun; Kim, Dongho; Furuta, Hiroyuki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 19.7144 ± 0.0004 Å
• b: 19.2488 ± 0.0004 Å
• c: 20.5275 ± 0.0004 Å
• α: 90°
• β: 109.682 ± 0.002°
• γ: 90°
• Cell volume: 7334.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.071
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No