Information card for entry 7240454

Structure parameters

• Formula: C24 H56 Bi2 Cl10 N4
• Calculated formula: C24 H56 Bi2 Cl10 N4
• Title of publication: Exploring a lead-free organic‒inorganic semiconducting hybrid with above-room-temperature dielectric phase transition
• Authors of publication: Wang, Yuyin; Han, Shiguo; Liu, Xitao; Wu, Zhenyue; Sun, Zhihua; Dey, Dhananjay; Li, Yaobin; Luo, Junhua
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 30
• Pages of publication: 17492 - 17496
• a: 11.9592 ± 0.0003 Å
• b: 12.7479 ± 0.0002 Å
• c: 31.1058 ± 0.0006 Å
• α: 90°
• β: 108.827 ± 0.001°
• γ: 90°
• Cell volume: 4488.5 ± 0.16 ų
• Cell temperature: 333 K
• Ambient diffraction temperature: 333 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: 0.0781
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.1006
• 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