Information card for entry 1512837

Structure parameters

• Formula: C19 H17 I N2 O Pt S
• Calculated formula: C19 H17 I N2 O Pt S
• SMILES: [Pt]12(Oc3c(N=[N]2c2ccccc2[S]1CCC)c1c(cc3)cccc1)I
• Title of publication: Synthesis, characterization, X-ray structure and spectroscopic study of platinum(II) complexes with tridentate diazene ligands having O,N,S donor set
• Authors of publication: Suvra Acharya; Ambica Kejriwal; Achintesh Narayan Biswas; Purak Das; Debatra Narayan Neogi; Pinaki Bandyopadhyay
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 757 - 764
• a: 13.531 ± 0.003 Å
• b: 9.007 ± 0.0018 Å
• c: 16.564 ± 0.003 Å
• α: 90°
• β: 108.5 ± 0.03°
• γ: 90°
• Cell volume: 1914.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No