Information card for entry 1552365

Structure parameters

• Formula: C52 H36 N4 O8 Pd
• Calculated formula: C52 H36 N4 O8 Pd
• SMILES: c1cc2C(=c3n4c(=C(c5ccc6=C(c7ccc(cc7)C(=O)OC)c7n8[Pd]4([n]2c1=C(c8cc7)c1ccc(cc1)C(=O)OC)[n]56)c1ccc(cc1)C(=O)OC)cc3)c1ccc(cc1)C(=O)OC
• Title of publication: Well-Distributed Pt-Nanoparticles within Confined Coordination Interspaces of Self-Sensitized Porphyrin Metal-Organic Frameworks: Synergistic Effect Boosting Highly Efficient Photocatalytic Hydrogen Evolution Reaction
• Authors of publication: Li, Shuai; Mei, Hong-Min; Yao, Shi-Lin; Chen, Zhiyao; Lu, Yu-Lin; Zhang, Li; Su, Cheng-Yong
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 33.5643 ± 0.0016 Å
• b: 21.7048 ± 0.0009 Å
• c: 6.9605 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5070.8 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No