Information card for entry 7058558

Structure parameters

• Chemical name: C15 H13 Br N3 Ni0.50 S2
• Formula: C15 H13 Br N3 Ni0.5 S2
• Calculated formula: C15 H13 Br N3 Ni0.5 S2
• Title of publication: Solution and solid behavior of mono and binuclear zinc(ii) and nickel(ii) complexes with dithiocarbazates: X-ray analysis, mass spectrometry and cytotoxicity against cancer cell lines
• Authors of publication: Cavalcante, Cássia de Q. O.; Arcanjo, Daniel da S.; Silva, Guilherme G. da; Oliveira, Diêgo M. de; Gatto, Claudia C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 28
• Pages of publication: 11209
• a: 9.3364 ± 0.0005 Å
• b: 14.9577 ± 0.0006 Å
• c: 11.9459 ± 0.0005 Å
• α: 90°
• β: 91.079 ± 0.003°
• γ: 90°
• Cell volume: 1667.96 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No