Information card for entry 1549729

Structure parameters

• Formula: C21 H23 Cl3 N2 O5 Pt2 S2
• Calculated formula: C21 H23 Cl3 N2 O5 Pt2 S2
• SMILES: [Pt]1([n]2c(n([Pt]([S](=O)(C)C)(Cl)Cl)c3c2cccc3)c2cc3c(oc2=[O]1)cc(OC)cc3)(Cl)[S](=O)(C)C
• Title of publication: Synthesis and antitumor mechanisms of two novel platinum(II) complexes with 3-(2′-benzimidazolyl)-7-methoxycoumarin
• Authors of publication: Qin, Qi-Pin; Wang, Shulong; Tan, Mingxiong; Wang, Zhen-Feng; Huang, Xiao-Ling; Wei, Qingmin; Shi, Bei-Bei; Zou, Bi-Qun; Liang, Hong
• Journal of publication: Metallomics
• Year of publication: 2018
• a: 9.4211 ± 0.0004 Å
• b: 12.9359 ± 0.0008 Å
• c: 13.8521 ± 0.0008 Å
• α: 66.332 ± 0.006°
• β: 88.609 ± 0.004°
• γ: 71.401 ± 0.005°
• Cell volume: 1454.91 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0436
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No