Information card for entry 7109820

Structure parameters

• Formula: C58 H74 Cl16 N2 O4 Pd2 S4
• Calculated formula: C58 H74 Cl16 N2 O4 Pd2 S4
• Title of publication: Transition metal complexes of axially chiral tetrathioether bay-substituted perylene bisimide dyes
• Authors of publication: Mei-Jin Lin; Marcus Schulze; Krzysztof Radacki; Frank Wurthner
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9107
• a: 12.787 ± 0.0009 Å
• b: 13.7386 ± 0.001 Å
• c: 21.64 ± 0.0015 Å
• α: 103.264 ± 0.003°
• β: 94.378 ± 0.003°
• γ: 100.247 ± 0.003°
• Cell volume: 3613.8 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No