Information card for entry 7700311

Structure parameters

• Formula: C66 H62 N4 Pd2
• Calculated formula: C66 H62 N4 Pd2
• 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: 14.9357 ± 0.0009 Å
• b: 15.1568 ± 0.0009 Å
• c: 15.5763 ± 0.0009 Å
• α: 118.321 ± 0.002°
• β: 102.924 ± 0.002°
• γ: 105.6 ± 0.002°
• Cell volume: 2721.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No