Information card for entry 7709252

Structure parameters

• Formula: C17 H20 Cl3 N6 O Ru
• Calculated formula: C17 H20 Cl3 N6 O Ru
• SMILES: c12cc(c3c([n]2[Ru](Cl)(Cl)(Cl)([n]2c(cc(C)n12)C)[OH2])nn1c3nc(C)cc1C)C
• Title of publication: Ru(III) complexes with pyrazolopyrimidines as anticancer agents: bioactivities and the underlying mechanisms.
• Authors of publication: Gu, Yun-Qiong; Shen, Wen-Ying; Yang, Qi-Yuan; Chen, Zhen-Feng; Liang, Hong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 1333 - 1343
• a: 15.1044 ± 0.0006 Å
• b: 11.9266 ± 0.0004 Å
• c: 24.2173 ± 0.0011 Å
• α: 90°
• β: 105.309 ± 0.005°
• γ: 90°
• Cell volume: 4207.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0706
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No