Information card for entry 2202332

Structure parameters

• Chemical name: cis-bis(N,N-dimethyl-N'-2-chlorobenzoylthioureato)nickel(II)
• Formula: C20 H20 Cl2 N4 Ni O2 S2
• Calculated formula: C20 H20 Cl2 N4 Ni O2 S2
• SMILES: [Ni]12(OC(=NC(=[S]1)N(C)C)c1ccccc1Cl)[S]=C(N=C(O2)c1ccccc1Cl)N(C)C
• Title of publication: <i>cis</i>-Bis(<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-2-chlorobenzoylthioureato)nickel(II)
• Authors of publication: Emen, Fatih Mehmet; Flörke, Ulrich; Külcü, Nevzat; Arslan, Hakan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m582 - m583
• a: 7.3679 ± 0.0014 Å
• b: 22.28 ± 0.004 Å
• c: 27.448 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4505.8 ± 1.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• 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: 0.1339
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes