Information card for entry 2228855

Structure parameters

• Chemical name: Chlorido[1-(4,5-dihydro-1,3-thiazol-2-yl-κ<i>N</i>)ethanone thiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>]nickel(II)
• Formula: C6 H9 Cl N4 Ni S2
• Calculated formula: C6 H9 Cl N4 Ni S2
• SMILES: C12C(C)=[N]3[Ni](Cl)([N]=1CCS2)SC(=N3)N
• Title of publication: Chlorido[1-(4,5-dihydro-1,3-thiazol-2-yl-κ<i>N</i>)ethanone thiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>]nickel(II)
• Authors of publication: Viñuelas-Zahínos, Emilio; Luna-Giles, Francisco; Torres-García, Pablo; Bernalte-García, Álvaro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m79
• a: 9.656 ± 0.002 Å
• b: 10.617 ± 0.002 Å
• c: 11.187 ± 0.003 Å
• α: 90°
• β: 112.874 ± 0.004°
• γ: 90°
• Cell volume: 1056.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes