Information card for entry 7704426

Structure parameters

• Common name: [Pt(fenbzEttsc)]
• Formula: C25 H21 N5 O Pt S
• Calculated formula: C25 H21 N5 O Pt S
• Title of publication: Intramolecular C(sp²)-C (sp²) bond formation between phenanthroline and β-diketone thiosemicarbazones in Pt^II complexes: crystal structures and computational studies.
• Authors of publication: Gonçalves, Ana C R; Rettondin, Andressa R.; Oliveira, Carolina G.; Patrocinio, Antonio O. T.; Machado, Antonio E. H.; Deflon, Victor M.; Abram, Ulrich; Maia, Pedro I. S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 28
• Pages of publication: 9564 - 9567
• a: 7.3572 ± 0.0003 Å
• b: 12.3495 ± 0.0005 Å
• c: 24.1793 ± 0.0009 Å
• α: 90°
• β: 92.552 ± 0.002°
• γ: 90°
• Cell volume: 2194.7 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No