Information card for entry 7064266

Structure parameters

• Formula: C45 H29 Cl7 N6 Ni S2
• Calculated formula: C45 H29 Cl7 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: 7.6501 ± 0.0014 Å
• b: 27.11 ± 0.005 Å
• c: 21.294 ± 0.004 Å
• α: 90°
• β: 90.173 ± 0.006°
• γ: 90°
• Cell volume: 4416.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1634
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No