Information card for entry 7720246

Structure parameters

• Common name: CV14.3_150K
• Formula: C40 H50 N12 Ni O10 S2
• Calculated formula: C40 H50 N12 Ni O10 S2
• Title of publication: Structural Features and Antibacterial Activity of Ni(II) Thiosemicarbazones in a Zirconium Meta-Organic Framework Composite
• Authors of publication: Loukopoulos, Edward; Fabra Escribano, David; Melones-Herrero, Jorge; Matesanz, Ana Isabel; Viciana, Carmen; Platero-Prats, Ana E.; Sanchez-Perez, Isabel; Gomez Quiroga, Adoracion
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 7.1806 ± 0.0006 Å
• b: 11.4484 ± 0.0009 Å
• c: 13.8901 ± 0.001 Å
• α: 76.331 ± 0.002°
• β: 86.624 ± 0.003°
• γ: 83.694 ± 0.003°
• Cell volume: 1102.16 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No