Information card for entry 4068043

Structure parameters

• Formula: C44 H40 Cl2 N4 O2 Pt
• Calculated formula: C44 H40 Cl2 N4 O2 Pt
• SMILES: [Pt]([N]1=C(CC)ON(C1(c1ccccc1)c1ccccc1)c1ccccc1)([N]1=C(CC)ON(C1(c1ccccc1)c1ccccc1)c1ccccc1)(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: 7.8443 ± 0.0003 Å
• b: 9.923 ± 0.0004 Å
• c: 12.8246 ± 0.0006 Å
• α: 81.119 ± 0.001°
• β: 81.457 ± 0.001°
• γ: 70.851 ± 0.001°
• Cell volume: 926.57 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0234
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No