Information card for entry 1554638

Structure parameters

• Formula: C42 H28 Cl2 N4 O2 Pt2
• Calculated formula: C42 H28 Cl2 N4 O2 Pt2
• SMILES: [Pt]12(c3c(c4[n]2cccc4)cccc3)Oc2c(Cl)cccc2C=[N]1c1ccccc1[N]1[Pt]2(Oc3c(C=1)cccc3Cl)[n]1ccccc1c1ccccc21
• 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: 9.6783 ± 0.0005 Å
• b: 18.7346 ± 0.0011 Å
• c: 19.5011 ± 0.001 Å
• α: 90°
• β: 100.777 ± 0.005°
• γ: 90°
• Cell volume: 3473.6 ± 0.3 ų
• Cell temperature: 143 ± 0.1 K
• Ambient diffraction temperature: 143 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No