Information card for entry 4502491

Structure parameters

• Formula: C2 H5 Cd N3 O5 S
• Calculated formula: C2 H5 Cd N3 O5 S
• Title of publication: Novel Structural Diversity of Triazolate-Based Coordination Polymers Generated Solvothermally with Anions
• Authors of publication: Li, Dong-Ping; Zhou, Xin-Hui; Liang, Xiao-Qiang; Li, Cheng-Hui; Chen, Chao; Liu, Jian; You, Xiao-Zeng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 2136
• a: 5.5144 ± 0.001 Å
• b: 8.0021 ± 0.0015 Å
• c: 9.2467 ± 0.0017 Å
• α: 78.487 ± 0.003°
• β: 72.869 ± 0.003°
• γ: 87.2 ± 0.003°
• Cell volume: 382.06 ± 0.12 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0267
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No