Information card for entry 4340811

Structure parameters

• Common name: Compound X
• Formula: C50.9 H23.8 Cl1.8 F16 N4 Pb Pt2 S2
• Calculated formula: C50 H22 F16 N4 Pb Pt2 S2
• 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: 24.4445 ± 0.0007 Å
• b: 19.676 ± 0.0006 Å
• c: 25.1616 ± 0.0006 Å
• α: 90°
• β: 118.915 ± 0.002°
• γ: 90°
• Cell volume: 10593.3 ± 0.5 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No