Information card for entry 7707262

Structure parameters

• Formula: C30 H22 Cu2 I10 O Pb2 S20
• Calculated formula: C30 H22 Cu2 I10 O Pb2 S20
• Title of publication: Tetrathiafulvalene-based double metal lead iodides: structures and electrical properties.
• Authors of publication: Yin, Wen-Yu; Weng, Yi-Gang; Ren, Zhou-Hong; Zhang, Zhi-Ruo; Zhu, Qin-Yu; Dai, Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 23
• Pages of publication: 8120 - 8126
• a: 10.9196 ± 0.0019 Å
• b: 11.281 ± 0.002 Å
• c: 13.7 ± 0.002 Å
• α: 86.986 ± 0.004°
• β: 70.722 ± 0.004°
• γ: 80.97 ± 0.004°
• Cell volume: 1573.2 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213.15 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: 0.0628
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No