Information card for entry 7717126

Structure parameters

• Formula: C28 H22 Br Mn N O3 P
• Calculated formula: C28 H22 Br Mn N O3 P
• Title of publication: Pb₆Ba₃Si₂S₈I₁₀: a new thiohalide with a quasi-two-dimensional structure and wide band gap.
• Authors of publication: Zhao, Wang; Zhou, Jiazheng; Wang, Linan; Jin, Wenqi; Kong, Yingying; Chu, Yu; Li, Junjie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 42
• Pages of publication: 17200 - 17206
• a: 7.8512 ± 0.0002 Å
• b: 11.7945 ± 0.0002 Å
• c: 16.0581 ± 0.0004 Å
• α: 75.192 ± 0.001°
• β: 84.248 ± 0.001°
• γ: 84.835 ± 0.001°
• Cell volume: 1427.16 ± 0.06 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No