Information card for entry 1575108

Structure parameters

• Formula: C26 H35 Cl6 In N2 S3
• Calculated formula: C26 H35 Cl6 In N2 S3
• Title of publication: Tailoring the properties of Sb³⁺-doped in-based organic-inorganic hybrid metal halides through A-site cation engineering.
• Authors of publication: Qin, Ying; Tang, Yali; Pan, Yue Xiao; Chen, Yingnuo; Xiao, Hongping; Zou, Jun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 67
• Pages of publication: 12518 - 12521
• a: 14.2222 ± 0.0006 Å
• b: 9.351 ± 0.0004 Å
• c: 12.4182 ± 0.0005 Å
• α: 90°
• β: 93.818 ± 0.004°
• γ: 90°
• Cell volume: 1647.85 ± 0.12 ų
• Cell temperature: 304.13 ± 0.1 K
• Ambient diffraction temperature: 304.13 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No