Information card for entry 4346855

Structure parameters

• Formula: C29 H28 Cl3 D N4 O3
• Calculated formula: C29 H28 Cl3 D N4 O3
• SMILES: [C@@H]1(N=C(N2C(=O)[C@@H]([C@H](N12)c1ccc(cc1)OC)NC(=O)c1ccccc1)CC)c1ccc(C)cc1.C([2H])(Cl)(Cl)Cl.[C@H]1(N=C(N2C(=O)[C@H]([C@@H](N12)c1ccc(cc1)OC)NC(=O)c1ccccc1)CC)c1ccc(C)cc1.C([2H])(Cl)(Cl)Cl
• Title of publication: Regio- and Stereoselective 1,3-Dipolar Cycloaddition of Cyclic Azomethine Imines to Platinum(IV)-Bound Nitriles Giving Δ(2)-1,2,4-Triazoline Species.
• Authors of publication: Smirnov, Andrey S.; Kritchenkov, Andreii S.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Selivanov, Stanislav I.; Gurzhiy, Vladislav V.; Roodt, Andreas; Kukushkin, Vadim Yu
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 11018 - 11030
• a: 12.30326 ± 0.00016 Å
• b: 9.98422 ± 0.00012 Å
• c: 23.6475 ± 0.0003 Å
• α: 90°
• β: 92.2526 ± 0.0012°
• γ: 90°
• Cell volume: 2902.58 ± 0.06 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: 0.0369
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No