Information card for entry 1574589

Structure parameters

• Formula: C59 H54 Cl2 N6 Pd2
• Calculated formula: C53 H40 Cl2 N6 Pd2
• Title of publication: 3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application
• Authors of publication: Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 10701 - 10713
• a: 12.4062 ± 0.0018 Å
• b: 12.6181 ± 0.0018 Å
• c: 19.276 ± 0.003 Å
• α: 102.182 ± 0.004°
• β: 95.522 ± 0.004°
• γ: 118.581 ± 0.003°
• Cell volume: 2520.9 ± 0.7 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1496
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No