Information card for entry 7064267

Structure parameters

• Formula: C44 H28 Cl4 N6 Ni S2
• Calculated formula: C44 H28 Cl4 N6 Ni S2
• Title of publication: See-Saw Ni(II) thiosemicarbazones, Energy and Photophysical Properties
• Authors of publication: Verma, Satyendra; Nath, Jitendra; Baruah, Jubaraj B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 13.4028 ± 0.0016 Å
• b: 25.516 ± 0.003 Å
• c: 11.7627 ± 0.0014 Å
• α: 90°
• β: 91.75 ± 0.004°
• γ: 90°
• Cell volume: 4020.8 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0798
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No