Information card for entry 2226326

Structure parameters

• Chemical name: [1-(2-Oxidobenzylidene)-4-phenylthiosemicarbazidato- κ^3^<i>O</i>,<i>N</i>^1^,<i>S</i>](pyridine-κ<i>N</i>)copper(II)
• Formula: C19 H16 Cu N4 O S
• Calculated formula: C19 H16 Cu N4 O S
• Title of publication: [1-(2-Oxidobenzylidene)-4-phenylthiosemicarbazidato-κ^3^<i>O</i>,<i>N</i>^1^,<i>S</i>](pyridine-κ<i>N</i>)copper(II)
• Authors of publication: Bon, Vladimir V.; Orysyk, Svitlana I.; Pekhnyo, Vasily I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m676
• a: 18.2958 ± 0.0017 Å
• b: 4.561 ± 0.0005 Å
• c: 20.473 ± 0.002 Å
• α: 90°
• β: 93.602 ± 0.007°
• γ: 90°
• Cell volume: 1705 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes