Information card for entry 1502653

Structure parameters

• Formula: C18.67 H21.33 N2.67 O3.33 S1.33 Sn1.33
• Calculated formula: C18.6667 H21.3333 N2.66667 O3.33333 S1.33333 Sn1.33333
• Title of publication: Synthesis and biological activity of organotin 4-methyl-1,2,3-thiadiazole-5-carboxylates and benzo[1,2,3]thiadiazole-7-carboxylates.
• Authors of publication: Wang, Zhi-Hong; Guo, Yan-Zhao; Zhang, Jun; Ma, Lin; Song, Hai-Bin; Fan, Zhi-Jin
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2010
• Journal volume: 58
• Journal issue: 5
• Pages of publication: 2715 - 2719
• a: 11.008 ± 0.002 Å
• b: 12.502 ± 0.003 Å
• c: 13.118 ± 0.003 Å
• α: 74.75 ± 0.03°
• β: 71.81 ± 0.03°
• γ: 65.93 ± 0.03°
• Cell volume: 1546.7 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No