Information card for entry 8104800

Structure parameters

• Formula: C15 H17 Cd N5 O2 S2
• Calculated formula: C15 H17 Cd N5 O2 S2
• Title of publication: Crystal structure of catena-poly[bis(μ 2-thiocyanato-κ2 N:S)-(2-(5-methyl-1H-pyrazol-3-yl)pyridine-κ2 N,N′)cadmium(II)]–dioxane (1/1), C15H17CdN5O2S2
• Authors of publication: Xu, Qin-Juan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 3
• Pages of publication: 683 - 684
• a: 9.6685 ± 0.0004 Å
• b: 10.4511 ± 0.0004 Å
• c: 11.284 ± 0.0005 Å
• α: 100.763 ± 0.002°
• β: 114.948 ± 0.002°
• γ: 96.816 ± 0.002°
• Cell volume: 990.36 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No