Information card for entry 2202566

Structure parameters

• Chemical name: cis-Bis[N-(2-chlorobenzoyl)-N',N'-diphenylthioureato]nickel(II) dichloromethane solvate
• Formula: C41 H30 Cl4 N4 Ni O2 S2
• Calculated formula: C41 H30 Cl4 N4 Ni O2 S2
• SMILES: [Ni]12([S]=C(N=C(O1)c1c(Cl)cccc1)N(c1ccccc1)c1ccccc1)[S]=C(N=C(O2)c1c(Cl)cccc1)N(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: <i>cis</i>-Bis[<i>N</i>-(2-chlorobenzoyl)-<i>N</i>',<i>N</i>'-diphenylthioureato]nickel(II) dichloromethane solvate
• Authors of publication: Binzet, Gün; Flörke, Ulrich; Külcü, Nevzat; Arslan, Hakan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m705 - m706
• a: 8.4277 ± 0.0007 Å
• b: 14.2923 ± 0.0011 Å
• c: 17.4582 ± 0.0013 Å
• α: 103.671 ± 0.002°
• β: 98.23 ± 0.002°
• γ: 103.877 ± 0.002°
• Cell volume: 1938.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes