Information card for entry 8105356

Structure parameters

• Chemical name: Crystal structure of bis(3-chlorosalicylidene)-ethylenediaminato)-Nickel (II), C~16~H~12~Cl~2~NiN~2~O~2~
• Formula: C16 H12 Cl2 N2 Ni O2
• Calculated formula: C16 H12 Cl2 N2 Ni O2
• SMILES: [Ni]123Oc4c(Cl)cccc4C=[N]2CC[N]3=Cc2cccc(c2O1)Cl
• Title of publication: Crystal structure of bis((3-chlorosalicylidene)-ethylenediaminato-κ4N,N′,O,O′)nickel (II), C16H12Cl2NiN2O2
• Authors of publication: Xiao, Jianchang; Zhou, Cun; Tan, Hui; Huang, Meifen; Wu, Qiong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 995 - 996
• a: 12.5166 ± 0.0012 Å
• b: 12.5881 ± 0.0014 Å
• c: 19.0086 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2995 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0871
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No