Information card for entry 4303527

Structure parameters

• Formula: C2 H5 Cl N6 Pb S
• Calculated formula: C2 H5 Cl N6 Pb S
• Title of publication: Temperature-Controlled Syntheses of Substituted 1,2,4-Triazolelead(II) Complexes: Active Lone Pair and N-H...X (X = Cl, Br, I) Hydrogen Bonds
• Authors of publication: Jian-Kai Cheng; Jian Zhang; Pei-Xiu Yin; Qi-Pu Lin; Zhao-Ji Li; Yuan-Gen Yao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9992 - 9994
• a: 9.577 ± 0.004 Å
• b: 11.411 ± 0.004 Å
• c: 7.492 ± 0.003 Å
• α: 90°
• β: 106.476 ± 0.005°
• γ: 90°
• Cell volume: 785.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No