Information card for entry 7701081

Structure parameters

• Chemical name: Gd3
• Formula: C66 H45 Gd N9 O6 P3
• Calculated formula: C66 H45 Gd N9 O6 P3
• Title of publication: Highly efficient room-temperature phosphorescence achieved by gadolinium complexes.
• Authors of publication: Sun, Boxun; Wei, Chen; Wei, Huibo; Cai, Zelun; Liu, Huanyu; Zang, Zhiyu; Yan, Wenchao; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 40
• Pages of publication: 14958 - 14961
• a: 23.9284 ± 0.0001 Å
• b: 23.9284 ± 0.0001 Å
• c: 23.9284 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13700.6 ± 0.1 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No