Information card for entry 7039598

Structure parameters

• Formula: C22 H36 B F2 N3 P2 Pt S
• Calculated formula: C22 H36 B F2 N3 P2 Pt S
• SMILES: C1([Pt](N=C=S)([P](CC)(CC)CC)[P](CC)(CC)CC)=c2ccc[n]2[B](F)(F)n2c1ccc2
• Title of publication: Complexes trans-Pt(BODIPY)X(PEt3)2: excitation energy-dependent fluorescence and phosphorescence emissions, oxygen sensing and photocatalysis.
• Authors of publication: Irmler, Peter; Winter, Rainer F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10420 - 10434
• a: 9.3599 ± 0.0004 Å
• b: 18.0669 ± 0.0007 Å
• c: 16.136 ± 0.0007 Å
• α: 90°
• β: 104.104 ± 0.003°
• γ: 90°
• Cell volume: 2646.41 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No