Information card for entry 4087185

Structure parameters

• Formula: C30 H46 N6 P2 Pt
• Calculated formula: C30 H46 N6 P2 Pt
• SMILES: [Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)(c1n(nnc1)Cc1ccccc1)c1n(nnc1)Cc1ccccc1
• Title of publication: Single versus Double Cu(I) Catalyzed [3 + 2] Azide/Platinum Diacetylide Cycloaddition Reactions
• Authors of publication: Yang, Xi; VenkatRamani, Sudarsan; Beto, Christopher C.; Del Castillo, Trevor J.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1352
• a: 10.5063 ± 0.0007 Å
• b: 30.1519 ± 0.0019 Å
• c: 11.0875 ± 0.0007 Å
• α: 90°
• β: 114.522 ± 0.001°
• γ: 90°
• Cell volume: 3195.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0267
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No