Information card for entry 4340815

Structure parameters

• Formula: C49 H28 F16 N4 O Pb Pt2 S2
• Calculated formula: C49 H28 F16 N4 O Pb Pt2 S2
• SMILES: [Pt]12([Pb]3([S]([Pt]4(c5ccccc5c5[n]4cccc5)c4c(c(c(c(c4F)F)F)F)F)c4[n]3cc(cc4)C(F)(F)F)[n]3cc(ccc3S1)C(F)(F)F)([n]1ccccc1c1ccccc21)c1c(c(c(c(c1F)F)F)F)F.O=C(C)C
• Title of publication: Photophysical Responses in Pt2Pb Clusters Driven by Solvent Interactions and Structural Changes in the Pb(II) Environment.
• Authors of publication: Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio; Shahsavari, Hamid R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8770 - 8785
• a: 11.3814 ± 0.0004 Å
• b: 14.8392 ± 0.0004 Å
• c: 16.1301 ± 0.0004 Å
• α: 110.064 ± 0.003°
• β: 106.667 ± 0.003°
• γ: 96.519 ± 0.003°
• Cell volume: 2382.43 ± 0.15 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No