Information card for entry 4341119

Structure parameters

• Formula: C96 H80 Cl4 Cu4 O4 P4
• Calculated formula: C96 H80 Cl4 Cu4 O4 P4
• SMILES: c1(ccccc1)[P]1([C@@H](c2cccc(c2)[C@@H]([P](c2ccccc2)(c2ccccc2)[Cu]23[Cl][Cu]4513[Cl]2[Cu]1235[P](c5ccccc5)(c5ccccc5)[C@@H](CC(=O)c5ccccc5)c5cccc(c5)[C@H]([P](c5ccccc5)(c5ccccc5)[Cu]3([Cl]1)[Cl]42)CC(=O)c1ccccc1)CC(=O)c1ccccc1)CC(=O)c1ccccc1)c1ccccc1
• Title of publication: A one-pot diastereoselective self assembly of C-stereogenic copper(i) diphosphine clusters.
• Authors of publication: Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10232 - 10239
• a: 12.6496 ± 0.0009 Å
• b: 13.5286 ± 0.0009 Å
• c: 14.9416 ± 0.001 Å
• α: 64.969 ± 0.003°
• β: 80.065 ± 0.004°
• γ: 62.687 ± 0.004°
• Cell volume: 2057.8 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No