Information card for entry 7015289

Structure parameters

• Formula: C16 H14 N2 Pt S2
• Calculated formula: C16 H14 N2 Pt S2
• SMILES: [Pt]12(c3cccc4ccc5ccc[n]2c5c34)[S]=C(S1)N(C)C
• Title of publication: Pt-Ag clusters and their neutral mononuclear Pt(II) starting complexes: structural and luminescence studies.
• Authors of publication: Forniés, Juan; Sicilia, Violeta; Casas, José M; Martín, Antonio; López, José A; Larraz, Carmen; Borja, Pilar; Ovejero, Carmen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2898 - 2912
• a: 6.99202 ± 0.00017 Å
• b: 9.599 ± 0.0002 Å
• c: 22.4903 ± 0.0006 Å
• α: 90°
• β: 96.384 ± 0.002°
• γ: 90°
• Cell volume: 1500.11 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0302
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No