Information card for entry 8106104

Structure parameters

• Formula: C24 H28 Cu N10 O9 S
• Calculated formula: C24 H28 Cu N10 O9 S
• Title of publication: Crystal structure of aqua-bis(3-(2-pyridyl)-5-(4-pyridyl)-1H-1,2,4-triazole-κ2 N,N′)copper(II) sulfate tetrahydrate, C24H28CuN10O9S
• Authors of publication: Fu, Ai-Yun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 217 - 219
• a: 16.3499 ± 0.0016 Å
• b: 14.0411 ± 0.0013 Å
• c: 12.7069 ± 0.0013 Å
• α: 90°
• β: 104.019 ± 0.002°
• γ: 90°
• Cell volume: 2830.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No