Information card for entry 4340812

Structure parameters

• Common name: Compound X
• Formula: C54.5 H31 F16 N4 O1.5 Pb Pt2 S2
• Calculated formula: C54.5 H31 F16 N4 O1.5 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: 12.3543 ± 0.0002 Å
• b: 29.5382 ± 0.0006 Å
• c: 15.3044 ± 0.0003 Å
• α: 90°
• β: 111.123 ± 0.001°
• γ: 90°
• Cell volume: 5209.68 ± 0.17 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No