Information card for entry 7047891

Structure parameters

• Formula: C16 H19 I N2 Ni S2
• Calculated formula: C16 H19 I N2 Ni S2
• Title of publication: In vitro and in vivo antiproliferative activity of organo-nickel SCS-pincer complexes on estrogen responsive MCF7 and MC4L2 breast cancer cells. Effects of amine fragment substitutions on BSA binding and cytotoxicity.
• Authors of publication: Hosseini-Kharat, Mahboubeh; Zargarian, Davit; Alizadeh, Ali Mohammad; Karami, Kazem; Saeidifar, Maryam; Khalighfard, Solmaz; Dubrulle, Laurent; Zakariazadeh, Mostafa; Cloutier, Jean-Philippe; Sohrabijam, Zahra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 47
• Pages of publication: 16944 - 16957
• a: 12.5312 ± 0.0003 Å
• b: 12.19 ± 0.0003 Å
• c: 22.246 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3398.2 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0492
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No