Information card for entry 8105754

Structure parameters

• Formula: C88 H64 Cd2 Cl4 N8 O12 S4
• Calculated formula: C88 H64 Cd2 Cl4 N8 O12 S4
• Title of publication: Crystal structure of bis(μ2-1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-olato-κ3 O,O′:O′)-bis-(1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-olato-κ2 O,O)-bis(ethyl acetate-κO)dicadmium(II), C88H64Cl4N8O12S4Cd2
• Authors of publication: Ding, Yong-Jie; Zhao, Chun-Xiang; Hu, Si-Shi; Wang, Peng-Hui; Ye, Chen-Cheng; Jia, Hua-Li; Chen, Guang-Ying
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 477 - 479
• a: 13.5247 ± 0.0006 Å
• b: 15.3257 ± 0.0007 Å
• c: 20.6985 ± 0.0008 Å
• α: 90°
• β: 101.863 ± 0.001°
• γ: 90°
• Cell volume: 4198.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0952
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No