Information card for entry 4068350

Structure parameters

• Formula: C43 H52 I2 N2 P2 Pt
• Calculated formula: C43 H52 I2 N2 P2 Pt
• SMILES: [Pt]1(I)([P]([C@H]([C@@H]([P]1(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)c1ccccc1)=C1N(C=CN1C1CCCCC1)C1CCCCC1.[I-]
• Title of publication: Platinum(II) Complexes Featuring Chiral Diphosphines and N-Heterocyclic Carbene Ligands: Synthesis and Evaluation as Cycloisomerization Catalysts
• Authors of publication: Brissy, Delphine; Skander, Myriem; Retailleau, Pascal; Frison, Gilles; Marinetti, Angela
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 140
• a: 12.544 ± 0.003 Å
• b: 14.714 ± 0.003 Å
• c: 23.594 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4354.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0657
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No