Information card for entry 4003351

Structure parameters

• Formula: C48 H40 Cl5 P2 Sb
• Calculated formula: C48 H40 Cl5 P2 Sb
• Title of publication: Facile Preparation of Light Emitting Organic Metal Halide Crystals with Near-Unity Quantum Efficiency
• Authors of publication: Zhou, Chenkun; Worku, Michael; Neu, Jennifer; Lin, Haoran; Tian, Yu; Lee, Sujin; Zhou, Yan; Han, Dan; Chen, Shiyou; Hao, Ayou; Djurovich, Peter I.; Siegrist, Theo; Du, Mao-Hua; Ma, Biwu
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 2374
• a: 10.0049 ± 0.0003 Å
• b: 10.0144 ± 0.0002 Å
• c: 12.1801 ± 0.0003 Å
• α: 99.3626 ± 0.0018°
• β: 94.68 ± 0.002°
• γ: 113.451 ± 0.002°
• Cell volume: 1090.12 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections: 0.1415
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9366
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No