Information card for entry 7712700

Structure parameters

• Formula: C67 H100 Cl2 N4 O7 Pd S
• Calculated formula: C67 H100 Cl2 N4 O7 Pd S
• Title of publication: Aggregation of phosphorescent Pd(II) and Pt(II) complexes with lipophilic counter-anions in non-polar solvents.
• Authors of publication: Zhou, Ning; Zou, Chao; Suo, Sa; Liu, Yuliang; Lin, Jinqiang; Zhang, Xiaobao; Shi, Minglin; Chang, Xiaoyong; Lu, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 17
• Pages of publication: 5503 - 5513
• a: 8.3719 ± 0.0002 Å
• b: 58.8373 ± 0.0016 Å
• c: 13.863 ± 0.0004 Å
• α: 90°
• β: 90.474 ± 0.001°
• γ: 90°
• Cell volume: 6828.4 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No