Information card for entry 7029969

Structure parameters

• Formula: C13 H23 N5 O5 Pt S3
• Calculated formula: C13 H23 N5 O5 Pt S3
• SMILES: [Pt]12([N](N=C(S1)N(C)C)=C(C1=C(O2)NC(=O)NC1=O)C)[S](=O)(C)C.S(=O)(C)C
• Title of publication: Neutral Ni(II), Pd(II) and Pt(II) ONS-pincer complexes of 5-acetylbarbituric-4N-dimethylthiosemicarbazone: synthesis, characterization and properties.
• Authors of publication: Castiñeiras, Alfonso; Fernández-Hermida, Nuria; García-Santos, Isabel; Gómez-Rodríguez, Lourdes
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 43
• Pages of publication: 13486 - 13495
• a: 6.6141 ± 0.0015 Å
• b: 13.122 ± 0.003 Å
• c: 13.394 ± 0.003 Å
• α: 116.863 ± 0.003°
• β: 96.683 ± 0.004°
• γ: 92.316 ± 0.004°
• Cell volume: 1024.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No