Information card for entry 7103620

Structure parameters

• Formula: C76 H94 N0 O7 P4 Pt2
• Calculated formula: C76 H92 O7 P4 Pt2
• SMILES: [Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc2cc3ccc(O)c(c3cc2)c2c(O)ccc3cc(ccc23)C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc2cc3ccc(O)c(c4c(O)ccc5cc(ccc45)C#C1)c3cc2.O(C(=O)C)CC.O
• Title of publication: A chiral metallacyclophane for asymmetric catalysis
• Authors of publication: Jiang, Hua; Hu, Aiguo; Lin, Wenbin
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 96 - 97
• a: 13.833 ± 0.003 Å
• b: 15.047 ± 0.003 Å
• c: 17.264 ± 0.004 Å
• α: 90°
• β: 92.105 ± 0.005°
• γ: 90°
• Cell volume: 3591.1 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No