Information card for entry 7709359

Structure parameters

• Formula: C31 H44 B2 Ce F3 N12 O3 S
• Calculated formula: C31 H44 B2 Ce F3 N12 O3 S
• Title of publication: Deep-blue emitting cerium(III) complexes with tris(pyrazolyl)borate and triflate ligands.
• Authors of publication: Yan, Wenchao; Cai, Zelun; Qi, Hao; Guo, Ruoyao; Liu, Zhiwei; Bian, Zuqiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 3234 - 3240
• a: 13.9849 ± 0.0002 Å
• b: 16.0016 ± 0.0003 Å
• c: 34.7914 ± 0.0006 Å
• α: 90°
• β: 93.747 ± 0.002°
• γ: 90°
• Cell volume: 7769 ± 0.2 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 8
• 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: 0.0723
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No