Information card for entry 7700356

Structure parameters

• Formula: C98.6 H142 B2 Cl3.2 F4 N4 P4 Pt2 S2
• Calculated formula: C98.6 H142 B2 Cl3.2 F4 N4 P4 Pt2 S2
• Title of publication: Directing energy transfer in Pt(bodipy)(mercaptopyrene) dyads.
• Authors of publication: Irmler, Peter; Gogesch, Franciska S.; Mang, André; Bodensteiner, Michael; Larsen, Christopher B.; Wenger, Oliver S.; Winter, Rainer F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 31
• Pages of publication: 11690 - 11705
• a: 14.1734 ± 0.0009 Å
• b: 16.7856 ± 0.0012 Å
• c: 22.6728 ± 0.0015 Å
• α: 78.562 ± 0.005°
• β: 88.157 ± 0.005°
• γ: 74.328 ± 0.005°
• Cell volume: 5089.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No