Information card for entry 1554639

Structure parameters

• Formula: C51 H35 Cl3 N4 O2 Pt2
• Calculated formula: C51 H35 Cl3 N4 O2 Pt2
• SMILES: [Pt]12([N](=Cc3c(O1)ccc1ccccc31)c1ccccc1[N]1=Cc3c4ccccc4ccc3O[Pt]31[n]1c(cccc1)c1ccccc31)[n]1ccccc1c1ccccc21.ClC(Cl)Cl
• Title of publication: Syntheses, crystal structures, chirality and aggregation-induced phosphorescence of stacked binuclear platinum(ii) complexes with bridging Salen ligands
• Authors of publication: Qu, Lang; Li, Chunbo; Shen, Guangyu; Gou, Fei; Song, Jintong; Wang, Man; Xu, Xuemei; Zhou, Xiangge; Xiang, Haifeng
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 1199
• a: 10.7354 ± 0.0004 Å
• b: 20.1891 ± 0.0008 Å
• c: 21.7815 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4720.9 ± 0.3 ų
• Cell temperature: 143 ± 0.1 K
• Ambient diffraction temperature: 143 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No