Information card for entry 4514976

Structure parameters

• Formula: C27 I N5 P2 Pt
• Calculated formula: C27 I N5 P2 Pt
• SMILES: c1c(C#C[Pt](I)([P](CC)(CC)CC)[P](CC)(CC)CC)nc(cn1)c1cn(c2ccc(cc2)C)nn1
• Title of publication: Design, Synthesis, Characterization, and Antiproliferative Activity of Organoplatinum Compounds Bearing a 1,2,3-Triazole Ring
• Authors of publication: Singh, Khushwant; Gangrade, Ankit; Jana, Achintya; Mandal, Biman B.; Das, Neeladri
• Journal of publication: ACS Omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 835
• a: 16.687 ± 0.006 Å
• b: 7.538 ± 0.003 Å
• c: 49.99 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6288 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1611
• Residual factor for significantly intense reflections: 0.1157
• Weighted residual factors for significantly intense reflections: 0.2677
• Weighted residual factors for all reflections included in the refinement: 0.2868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No