Information card for entry 4068044

Structure parameters

• Formula: C50 H52 Cl8 N6 O2 Pt
• Calculated formula: C50 H52 Cl8 N6 O2 Pt
• SMILES: C1(=[N](C(N(c2ccccc2)O1)(c1ccccc1)c1ccccc1)[Pt]([N]1=C(N(CC)CC)ON(C1(c1ccccc1)c1ccccc1)c1ccccc1)(Cl)Cl)N(CC)CC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Facile and Reversible 1,3-Dipolar Cycloaddition of Aryl Ketonitrones to Platinum(II)-Bound Nitriles: Synthetic, Structural, and Theoretical Studies
• Authors of publication: Kritchenkov, Andreii S.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Dolgushin, Fedor M.; Tung, Tran Q.; Molchanov, Alexander P.; Kukushkin, Vadim Yu.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 2
• Pages of publication: 687
• a: 9.998 ± 0.0004 Å
• b: 16.8602 ± 0.0006 Å
• c: 15.2853 ± 0.0006 Å
• α: 90°
• β: 95.302 ± 0.001°
• γ: 90°
• Cell volume: 2565.59 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No