Information card for entry 4130214

Structure parameters

• Formula: C108 H126 Al2 O4.5 P4 Pt2
• Calculated formula: C108 H126 Al2 O4.5 P4 Pt2
• Title of publication: A Significant but Constrained Geometry Pt→Al Interaction: Fixation of CO2 and CS2, Activation of H2 and PhCONH2.
• Authors of publication: Devillard, Marc; Declercq, Richard; Nicolas, Emmanuel; Ehlers, Andreas W.; Backs, Jana; Saffon-Merceron, Nathalie; Bouhadir, Ghenwa; Slootweg, J. Chris; Uhl, Werner; Bourissou, Didier
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 14
• Pages of publication: 4917 - 4926
• a: 12.5062 ± 0.0009 Å
• b: 18.9753 ± 0.0013 Å
• c: 21.519 ± 0.0014 Å
• α: 97.69 ± 0.002°
• β: 92.244 ± 0.002°
• γ: 108.259 ± 0.002°
• Cell volume: 4788 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193.02 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: 0.07
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No