Information card for entry 4339436

Structure parameters

• Formula: C16 H28 Cl2 N4 O4 Pt
• Calculated formula: C16 H28 Cl2 N4 O4 Pt
• SMILES: C1(C)=[N]([C@]2(C)N(C(C)(C)CO2)O1)[Pt]([N]1=C(C)ON2C(C)(C)CO[C@]12C)(Cl)Cl.C1(C)=[N]([C@@]2(C)N(C(C)(C)CO2)O1)[Pt]([N]1=C(C)ON2C(C)(C)CO[C@@]12C)(Cl)Cl
• 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: 20.1567 ± 0.0005 Å
• b: 9.6656 ± 0.0002 Å
• c: 12.1219 ± 0.0002 Å
• α: 90°
• β: 116.455 ± 0.002°
• γ: 90°
• Cell volume: 2114.37 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0192
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No