Information card for entry 7127830

Structure parameters

• Formula: C68.22 H58.66 Cl3.78 N4 O0.74 Pd2
• Calculated formula: C68.274 H58.822 Cl3.726 N4 O0.758 Pd2
• Title of publication: Helically chiral Pd(ii) complexes containing intramolecular PdPd metallophilicity as circularly polarized molecular phosphors.
• Authors of publication: Lin, Jinqiang; Xie, Mo; Zhang, Xiaobao; Gao, Qin; Chang, Xiaoyong; Zou, Chao; Lu, Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 13
• Pages of publication: 1627 - 1630
• a: 20.5184 ± 0.0011 Å
• b: 20.5184 ± 0.0011 Å
• c: 13.0844 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4770.6 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 171
• Hermann-Mauguin space group symbol: P 62
• Hall space group symbol: P 62
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.212
• Weighted residual factors for all reflections included in the refinement: 0.2207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No