Information card for entry 7711470

Structure parameters

• Formula: C210 H296 N28 O13 P8 Pt4
• Calculated formula: C148 H178 N12 O8 P8 Pt4
• SMILES: [Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)OC(=O)c2cc3cc(c4cc(cc(C(=O)O[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)[n]5ccc(cc5)C5=c6nc(C(=c7[n-]c(=C(c8nc(=C(c9ccccc9)c9[n-]c5cc9)cc8)c5ccccc5)cc7)c5cc[n]1cc5)cc6)c4)C(=O)O[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)[n]1ccc(cc1)C1=c4nc(C(=c5[n-]c(=C(c6nc(=C(c7[n-]c1cc7)c1ccccc1)cc6)c1ccccc1)cc5)c1cc[n]([Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)OC3=O)cc1)cc4)c2
• Title of publication: cis-Dipyridyl Porphyrin-Based Multicomponent Organoplatinum(II) Bismetallacycles for Photocatalytic Oxidation
• Authors of publication: Cheng, Ying; Zhang, Zeyuan; Duan, Xianglong; Zhang, Mingming
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 31.577 ± 0.004 Å
• b: 32.06 ± 0.004 Å
• c: 39.781 ± 0.004 Å
• α: 90°
• β: 93.216 ± 0.007°
• γ: 90°
• Cell volume: 40209 ± 8 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1491
• Residual factor for significantly intense reflections: 0.1157
• Weighted residual factors for significantly intense reflections: 0.3025
• Weighted residual factors for all reflections included in the refinement: 0.3238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No