Information card for entry 4346856

Structure parameters

• Formula: C32 H37 Cl2 N5 O4 Pt
• Calculated formula: C32 H37 Cl2 N5 O4 Pt
• SMILES: [Pt](Cl)(Cl)([N]1[C@@H](N2N(C=1CC)C(=O)[C@H](NC(=O)c1ccccc1)[C@H]2c1ccc(C)cc1)c1ccc(OC)cc1)[N]#CCC.OC.[Pt](Cl)(Cl)([N]1[C@H](N2N(C=1CC)C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H]2c1ccc(C)cc1)c1ccc(OC)cc1)[N]#CCC.OC
• 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: 11.73181 ± 0.00015 Å
• b: 25.6039 ± 0.0002 Å
• c: 11.70321 ± 0.00011 Å
• α: 90°
• β: 107.175 ± 0.0012°
• γ: 90°
• Cell volume: 3358.64 ± 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: 0.0362
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No