Information card for entry 7700310

Structure parameters

• Formula: C52 H36 N4 O Pd2 S
• Calculated formula: C52 H36 N4 O Pd2 S
• Title of publication: Highly phosphorescent organopalladium(ii) complexes with metal-metal-to-ligand charge-transfer excited states in fluid solutions.
• Authors of publication: Lin, Jinqiang; Zou, Chao; Zhang, Xiaobao; Gao, Qin; Suo, Sa; Zhuo, Qihang; Chang, Xiaoyong; Xie, Mo; Lu, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 28
• Pages of publication: 10417 - 10421
• a: 11.4577 ± 0.0012 Å
• b: 16.1072 ± 0.0019 Å
• c: 22.226 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4101.8 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No