Information card for entry 7064265

Structure parameters

• Formula: C46 H36 N6 Ni O2 S2
• Calculated formula: C46 H36 N6 Ni O2 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: 11.0335 ± 0.0004 Å
• b: 21.1887 ± 0.0008 Å
• c: 33.5173 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7835.9 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.1175
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No