Information card for entry 7700545

Structure parameters

• Chemical name: BPY[Au(dmit)2]2
• Formula: C24 H12 Au2 N2 S20
• Calculated formula: C24 H12 Au1.9999 N2 S20
• Title of publication: A molecular crystal with an unprecedentedly long-lived photoexcited state.
• Authors of publication: Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 34
• Pages of publication: 12858 - 12866
• a: 11.199 ± 0.0002 Å
• b: 14.2937 ± 0.0003 Å
• c: 23.4589 ± 0.0004 Å
• α: 90°
• β: 100.966 ± 0.007°
• γ: 90°
• Cell volume: 3686.62 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0523
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.309
• Diffraction radiation wavelength: 0.35219 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No