Information card for entry 7717124

Structure parameters

• Formula: C27 H24 Cl2 Co N P
• Calculated formula: C27 H24 Cl2 Co N 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: 9.1513 ± 0.0005 Å
• b: 12.9619 ± 0.0007 Å
• c: 20.7392 ± 0.001 Å
• α: 90°
• β: 92.0577 ± 0.0011°
• γ: 90°
• Cell volume: 2458.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0678
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No