Information card for entry 7056350

Structure parameters

• Formula: C10 H17 Cl2 N5 Pt
• Calculated formula: C10 H17 Cl2 N5 Pt
• SMILES: [Pt](Cl)(Cl)([NH3])[n]1cnn2c1nc(C)cc2CC(C)C
• Title of publication: Experimental and theoretical investigation of the complexation of 5-methyl-7-isobutyl-1,2,4-triazolo[1,5-a]pyrimidine by platinum(II) ion
• Authors of publication: Łakomska, Iwona; babinska, magdalena; Wojtczak, Andrzej; Kozakiewicz, Anna; Sitkowski, Jerzy; Jarzecki, Andrzej A.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 7775 - 7782
• a: 13.983 ± 0.004 Å
• b: 7.6739 ± 0.0011 Å
• c: 15.073 ± 0.004 Å
• α: 90°
• β: 116.36 ± 0.04°
• γ: 90°
• Cell volume: 1449.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1176
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No