Information card for entry 4132280

Structure parameters

• Formula: C42 H84 Cl2 P2 Pt
• Calculated formula: C42 H84 Cl2 P2 Pt
• SMILES: [Pt]1(Cl)([P]23CCCCCCCCCCCCCC[P]1(CCCCCCCCCCCCCC2)CCCCCCCCCCCCCC3)Cl
• Title of publication: Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH₂) _mCH═CH₂)₃ (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.
• Authors of publication: Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 27
• Pages of publication: 8463 - 8478
• a: 15.8988 ± 0.0003 Å
• b: 13.9099 ± 0.0004 Å
• c: 20.4188 ± 0.0006 Å
• α: 90°
• β: 93.141 ± 0.002°
• γ: 90°
• Cell volume: 4508.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1099
• 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