Information card for entry 7115577

Structure parameters

• Formula: C50 H38 B Cl2 N5 O2 Pt
• Calculated formula: C50 H38 B Cl2 N5 O2 Pt
• SMILES: [Pt]12(Cl)[n]3c(cccc3c3cccc[n]23)c2cccc[n]12.[Cl-].c1(c2[nH]c(C3=[O][B](OC(=C3)c3[nH]c(cc3)c3ccccc3)(c3ccccc3)c3ccccc3)cc2)ccccc1
• Title of publication: Ion-based assemblies of planar anion complexes and cationic PtII complexes
• Authors of publication: Ryo Sekiya; Yusuke Tsutsui; Wookjin Choi; Tsuneaki Sakurai; Shu Seki; Yuya Bandoa; Hiromitsu Maeda
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10615
• a: 12.2811 ± 0.0002 Å
• b: 12.5617 ± 0.0002 Å
• c: 26.9413 ± 0.0005 Å
• α: 90°
• β: 100.943 ± 0.0007°
• γ: 90°
• Cell volume: 4080.69 ± 0.12 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No