Information card for entry 2241333

Structure parameters

• Chemical name: [1-(3-Ethoxy-2-oxidobenzylidene-κ<i>O</i>^2^)-4-phenylthiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>](triphenylphosphane-κ<i>P</i>)nickel(II)
• Formula: C34 H30 N3 Ni O2 P S
• Calculated formula: C34 H30 N3 Ni O2 P S
• Title of publication: Crystal structure of [1-(3-ethoxy-2-oxidobenzylidene-κ<i>O</i>^2^)-4-phenylthiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>](triphenylphosphane-κ<i>P</i>)nickel(II)
• Authors of publication: Karpagam, B.; Chakkaravarthi, G.; Rajagopal, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: m230 - m231
• a: 9.729 ± 0.0002 Å
• b: 12.977 ± 0.0003 Å
• c: 14.012 ± 0.0002 Å
• α: 62.958 ± 0.001°
• β: 73.756 ± 0.002°
• γ: 71.654 ± 0.001°
• Cell volume: 1475.91 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0405
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes