Information card for entry 4068581

Structure parameters

• Formula: C21 H39 Cl5 N6 O2 Pt
• Calculated formula: C21 H39 Cl5 N6 O2 Pt
• SMILES: [Pt](Cl)(Cl)([N]1[C@H]2NC(C)(C)C(N2OC=1CC)(C)C)[N]1[C@H]2NC(C)(C)C(N2OC=1CC)(C)C.ClC(Cl)Cl.[Pt](Cl)(Cl)([N]1[C@@H]2NC(C)(C)C(N2OC=1CC)(C)C)[N]1[C@@H]2NC(C)(C)C(N2OC=1CC)(C)C.ClC(Cl)Cl
• Title of publication: Platinum(II)-Complexed Tetrahydroimidazo[1,2-b][1,2,4]oxadiazoles Derived from Metal-Mediated 1,3-Dipolar Cycloaddition. Novel Type of Heterocycles, Which Do Not Exist without the Metal Center
• Authors of publication: Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Haukka, Matti; Ovcharenko, Victor I.; Tretyakov, Eugeny V.; Kukushkin, Vadim Yu.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1406
• a: 12.0865 ± 0.0004 Å
• b: 18.0985 ± 0.0004 Å
• c: 14.3262 ± 0.0004 Å
• α: 90°
• β: 110.278 ± 0.002°
• γ: 90°
• Cell volume: 2939.59 ± 0.15 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: 0.0746
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No