Information card for entry 7237355

Structure parameters

• Formula: C44 H38 Ba3 O20 S4
• Calculated formula: C44 H38 Ba3 O20 S4
• Title of publication: Dual-emission and thermochromic luminescence alkaline earth metal coordination polymers and their blend films with polyvinylidene fluoride for detecting nitrobenzene vapor
• Authors of publication: Zhai, Lu; Yang, Zhu-Xi; Zhang, Wen-Wei; Zuo, Jing-Lin; Ren, Xiao-Ming
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 26
• Pages of publication: 7030
• a: 10.4838 ± 0.0012 Å
• b: 11.4338 ± 0.0013 Å
• c: 13.0145 ± 0.0015 Å
• α: 65.383 ± 0.002°
• β: 67.374 ± 0.002°
• γ: 71.286 ± 0.003°
• Cell volume: 1284.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No