Information card for entry 4339438

Structure parameters

• Formula: C28 H36 Cl2 N4 O4 Pt
• Calculated formula: C28 H36 Cl2 N4 O4 Pt
• SMILES: C1(C)(C)CO[C@@]2(CC)[N]([Pt]([N]3=C(c4ccccc4)ON4C(C)(C)CO[C@]34CC)(Cl)Cl)=C(c3ccccc3)ON12
• Title of publication: PtII-mediated 1,3-dipolar cycloaddition of oxazoline N-oxides to nitriles as a key step to dihydrooxazolo-1,2,4-oxadiazoles.
• Authors of publication: Makarycheva-Mikhailova, Anastassiya V; Golenetskaya, Julia A.; Bokach, Nadezhda A.; Balova, Irina A.; Haukka, Matti; Kukushkin, Vadim Yu
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 8323 - 8331
• a: 9.4537 ± 0.0007 Å
• b: 10.5337 ± 0.0005 Å
• c: 15.6088 ± 0.0011 Å
• α: 90°
• β: 105.088 ± 0.006°
• γ: 90°
• Cell volume: 1500.78 ± 0.17 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No