Information card for entry 2215730

Structure parameters

• Chemical name: Chlorido{1-[2-(methylsulfanyl)phenyldiazenyl]naphtholato-κ^3^O,N,S}nickel(II)
• Formula: C17 H13 Cl N2 Ni O S
• Calculated formula: C17 H13 Cl N2 Ni O S
• SMILES: [Ni]12([N](c3c([S]1C)cccc3)=Nc1c(O2)ccc2c1cccc2)Cl
• Title of publication: Chlorido{1-[2-(methylsulfanyl)phenyldiazenyl]naphtholato-κ^3^<i>O</i>,<i>N</i>,<i>S</i>}nickel(II)
• Authors of publication: Das, Purak; Biswas, Achintesh Narayan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2740 - m2740
• a: 28.717 ± 0.004 Å
• b: 11.5393 ± 0.0014 Å
• c: 4.666 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1546.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes