Information card for entry 1569808

Structure parameters

• Formula: C16 H17 Cd N9 O S2
• Calculated formula: C16 H17 Cd N9 O S2
• Title of publication: X-ray Structures and Hirshfeld Studies of Two Dinuclear Cd(II) Complexes with a s-Triazine/Pyrazolo Ligand and Pesudohalides as a Linker
• Authors of publication: Soliman, Saied M.; Al-Rasheed, Hessa H.; AL-khamis, Sarah A.; Haukka, Matti; El-Faham, Ayman
• Journal of publication: Crystals
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 1198
• a: 14.6614 ± 0.0005 Å
• b: 15.9147 ± 0.0006 Å
• c: 18.0194 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4204.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No