Information card for entry 7712853

Structure parameters

• Formula: C45 H61 Cl5 N4 O3 Ru3
• Calculated formula: C45 H61 Cl5 N4 O3 Ru3
• SMILES: [Ru]123456([c]7([cH]5[cH]4[c]3([cH]2[cH]17)C(C)C)C)(Cl)[n]1c2ccccc2[nH]c1c1cccc(c1O6)OC.[Ru]123456([c]7([cH]5[cH]4[c]3([cH]2[cH]17)C(C)C)C)([Cl][Ru]12345([c]7([cH]1[cH]2[c]3([cH]4[cH]57)C(C)C)C)(Cl)[NH2][NH2]6)Cl.CO.[Cl-]
• Title of publication: Studies on anticancer properties with varying co-ligands in Ru(II) arene benzimidazole system
• Authors of publication: Porwal, Pragti; Nayek, Sreshtha; Singh, Satyam; Sonawane, Avinash; Grabchev, Ivo; Ganguly, Rakesh; Mukhopadhyay, Suman
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.9791 ± 0.0003 Å
• b: 10.4431 ± 0.0002 Å
• c: 19.2928 ± 0.0004 Å
• α: 90°
• β: 97.4043 ± 0.0008°
• γ: 90°
• Cell volume: 2393.38 ± 0.09 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No