Information card for entry 1506884

Structure parameters

• Formula: C74 H88 O5 P4 Pt2
• Calculated formula: C74 H83.25 O5 P4 Pt2
• SMILES: [Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc2cc3ccccc3c(c2O)c2c3ccccc3cc(c2O)C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc2cc3c(c(c4c5c(cc(C#C1)c4O)cccc5)c2O)cccc3.O(CC)C(=O)C
• Title of publication: Chiral metallacyclophanes: self-assembly, characterization, and application in asymmetric catalysis.
• Authors of publication: Hua, Jiang; Lin, Wenbin
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 861 - 864
• a: 13.9988 ± 0.001 Å
• b: 38.171 ± 0.003 Å
• c: 14.5336 ± 0.0011 Å
• α: 90°
• β: 114.387 ± 0.001°
• γ: 90°
• Cell volume: 7073.1 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No