Information card for entry 7003002

Structure parameters

• Formula: C14 H16 Cl2 N8 Pt
• Calculated formula: C14 H16 Cl2 N8 Pt
• SMILES: [Pt](Cl)(Cl)([n]1cnn2c1nc(cc2C)C)[n]1cnn2c1nc(cc2C)C
• Title of publication: Mono- and dinuclear platinum(II) compounds with 5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine. Structure, cytotoxic activity and reaction with 5′-GMP
• Authors of publication: Łakomska, Iwona; Kooijman, Huub; Spek, Anthony L.; Shen, Wei-Zheng; Reedijk, Jan
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 48
• Pages of publication: 10736 - 10741
• a: 8.2733 ± 0.0012 Å
• b: 9.3493 ± 0.0012 Å
• c: 12.7502 ± 0.0012 Å
• α: 78.721 ± 0.01°
• β: 75.241 ± 0.01°
• γ: 72.229 ± 0.01°
• Cell volume: 900.7 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No