Information card for entry 1506883

Structure parameters

• Formula: C153 H186 Cl2 O8 P8 Pt4
• Calculated formula: C153 H185 Cl2 O8 P8 Pt4
• SMILES: [Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc2c(OC)c(c3ccccc3c2)c2c([O][CH3])c(cc3ccccc23)C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc2c(OC)c(c3ccccc3c2)c2c(OC)c(C#C1)cc1ccccc21.ClCCl
• 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: 19.0887 ± 0.0014 Å
• b: 27.889 ± 0.002 Å
• c: 28.778 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15320.4 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1825
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.2403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No