Information card for entry 7118960

Structure parameters

• Formula: C61 H58 Cl2 N3 O4 P3 Pt
• Calculated formula: C61 H58 Cl2 N3 O4 P3 Pt
• SMILES: [Pt](Cl)([P](C(=O)Nc1ccccc1)(c1ccccc1)c1ccccc1)([P](C(=O)Nc1ccccc1)(c1ccccc1)c1ccccc1)[P](C(=O)Nc1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].O(CC)CC
• Title of publication: Tetrahedral cage complex with planar vertices: selective synthesis of Pt4L6 cage complexes involving hydrogen bonds driven by halide binding
• Authors of publication: Masaki Ito; Masato Iseki; Masumi Itazaki; Hiroshi Nakazawa
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7205
• a: 11.7999 ± 0.0001 Å
• b: 12.6886 ± 0.0002 Å
• c: 19.4168 ± 0.0002 Å
• α: 83.953 ± 0.003°
• β: 73.888 ± 0.003°
• γ: 87.375 ± 0.002°
• Cell volume: 2777.02 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No