Information card for entry 7019019

Structure parameters

• Formula: C93 H147 Cd4 F48 N11 O6 P8 S10
• Calculated formula: C93 H147 Cd4 F48 N11 O6 P8 S10
• Title of publication: Group 12 metal zwitterionic thiolate compounds: preparation and structural characterization.
• Authors of publication: Tang, Xiao-Yan; Yuan, Rong-Xin; Chen, Jin-Xiang; Zhao, Wei; Zheng, Ai-Xia; Yu, Miao; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 20
• Pages of publication: 6162 - 6172
• a: 19.6626 ± 0.0019 Å
• b: 21.1266 ± 0.0012 Å
• c: 21.6391 ± 0.0013 Å
• α: 105.636 ± 0.003°
• β: 92.555 ± 0.003°
• γ: 114.528 ± 0.002°
• Cell volume: 7748.5 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No