Information card for entry 7243481

Structure parameters

• Formula: C60 H52 I18 N12 Pb5
• Calculated formula: C60 H52 I18 N12 Pb5
• Title of publication: Terpyridine-derived perovskite single crystals with tunable structures and electronic dimensionality
• Authors of publication: Yuan, Yaxuan; Xian, Yeming; Long, Yi; Zhang, Yangyi; Rahman, Naveed Ur; Zhang, Yongli; Fan, Jiandong; Li, Wenzhe
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 40
• Pages of publication: 24816 - 24821
• a: 12.8492 ± 0.0002 Å
• b: 12.89296 ± 0.00018 Å
• c: 15.7151 ± 0.0002 Å
• α: 86.4469 ± 0.0011°
• β: 70.5166 ± 0.0013°
• γ: 72.3962 ± 0.0013°
• Cell volume: 2337.22 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.053
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No